6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate

C153H211Cl2F19N44O19S3 — CID 158152559

IUPAC6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate
SMILESCCOC(=O)c1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OCC3CCN3C)n2)n1.CCOC(=O)c1ccn[nH]1.CN1CCC1CO.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CF)n2)n1.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)n1.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(S(C)(=O)=O)n1.COC(=O)Cl.COC(=O)N1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CF)n2)n1.CSc1nc(Cl)cc(NC2CCC(F)(F)CC2)n1.CSc1nc(NC2CCC(F)(F)CC2)cc(OCC2CCN2C)n1.FCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OCC3CCN3)n2)n1
InChIInChI=1S/C21H28F2N6O3.C20H25F3N6O3.C19H25F3N6O.C19H26F2N6O2.C18H23F3N6O.C16H24F2N4O3S.C16H24F2N4OS.C11H14ClF2N3S.C6H8N2O2.C5H11NO.C2H3ClO2/c1-3-31-19(30)16-7-11-29(27-16)20-25-17(24-14-4-8-21(22,23)9-5-14)12-18(26-20)32-13-15-6-10-28(15)2;1-31-19(30)28-8-5-15(28)12-32-17-10-16(24-13-2-6-20(22,23)7-3-13)25-18(26-17)29-9-4-14(11-21)27-29;1-27-8-5-15(27)12-29-17-10-16(23-13-2-6-19(21,22)7-3-13)24-18(25-17)28-9-4-14(11-20)26-28;1-26-8-5-15(26)12-29-17-10-16(22-13-2-6-19(20,21)7-3-13)23-18(24-17)27-9-4-14(11-28)25-27;19-10-13-4-8-27(26-13)17-24-15(23-12-1-5-18(20,21)6-2-12)9-16(25-17)28-11-14-3-7-22-14;1-22-8-5-12(22)10-25-14-9-13(20-15(21-14)26(2,23)24)19-11-3-6-16(17,18)7-4-11;1-22-8-5-12(22)10-23-14-9-13(20-15(21-14)24-2)19-11-3-6-16(17,18)7-4-11;1-18-10-16-8(12)6-9(17-10)15-7-2-4-11(13,14)5-3-7;1-2-10-6(9)5-3-4-7-8-5;1-6-3-2-5(6)4-7;1-5-2(3)4/h7,11-12,14-15H,3-6,8-10,13H2,1-2H3,(H,24,25,26);4,9-10,13,15H,2-3,5-8,11-12H2,1H3,(H,24,25,26);4,9-10,13,15H,2-3,5-8,11-12H2,1H3,(H,23,24,25);4,9-10,13,15,28H,2-3,5-8,11-12H2,1H3,(H,22,23,24);4,8-9,12,14,22H,1-3,5-7,10-11H2,(H,23,24,25);9,11-12H,3-8,10H2,1-2H3,(H,19,20,21);9,11-12H,3-8,10H2,1-2H3,(H,19,20,21);6-7H,2-5H2,1H3,(H,15,16,17);3-4H,2H2,1H3,(H,7,8);5,7H,2-4H2,1H3;1H3
InChIKeyFVHGYVLAUICVMQ-UHFFFAOYSA-N
MW3498.73 g/mol
LogP24.87
Rot. Bonds54

About 6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate

6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate (PubChem CID 158152559) has the molecular formula C153H211Cl2F19N44O19S3 and a molecular weight of 3498.73 g/mol. Its IUPAC name is 6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate.

Molecular Properties

Compound Name6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate
PubChem CID158152559
Molecular FormulaC153H211Cl2F19N44O19S3
Molecular Weight3498.73 g/mol
Exact Mass3495.51
IUPAC Name6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate
SMILESCCOC(=O)c1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OCC3CCN3C)n2)n1.CCOC(=O)c1ccn[nH]1.CN1CCC1CO.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CF)n2)n1.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)n1.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(S(C)(=O)=O)n1.COC(=O)Cl.COC(=O)N1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CF)n2)n1.CSc1nc(Cl)cc(NC2CCC(F)(F)CC2)n1.CSc1nc(NC2CCC(F)(F)CC2)cc(OCC2CCN2C)n1.FCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OCC3CCN3)n2)n1
InChIInChI=1S/C21H28F2N6O3.C20H25F3N6O3.C19H25F3N6O.C19H26F2N6O2.C18H23F3N6O.C16H24F2N4O3S.C16H24F2N4OS.C11H14ClF2N3S.C6H8N2O2.C5H11NO.C2H3ClO2/c1-3-31-19(30)16-7-11-29(27-16)20-25-17(24-14-4-8-21(22,23)9-5-14)12-18(26-20)32-13-15-6-10-28(15)2;1-31-19(30)28-8-5-15(28)12-32-17-10-16(24-13-2-6-20(22,23)7-3-13)25-18(26-17)29-9-4-14(11-21)27-29;1-27-8-5-15(27)12-29-17-10-16(23-13-2-6-19(21,22)7-3-13)24-18(25-17)28-9-4-14(11-20)26-28;1-26-8-5-15(26)12-29-17-10-16(22-13-2-6-19(20,21)7-3-13)23-18(24-17)27-9-4-14(11-28)25-27;19-10-13-4-8-27(26-13)17-24-15(23-12-1-5-18(20,21)6-2-12)9-16(25-17)28-11-14-3-7-22-14;1-22-8-5-12(22)10-25-14-9-13(20-15(21-14)26(2,23)24)19-11-3-6-16(17,18)7-4-11;1-22-8-5-12(22)10-23-14-9-13(20-15(21-14)24-2)19-11-3-6-16(17,18)7-4-11;1-18-10-16-8(12)6-9(17-10)15-7-2-4-11(13,14)5-3-7;1-2-10-6(9)5-3-4-7-8-5;1-6-3-2-5(6)4-7;1-5-2(3)4/h7,11-12,14-15H,3-6,8-10,13H2,1-2H3,(H,24,25,26);4,9-10,13,15H,2-3,5-8,11-12H2,1H3,(H,24,25,26);4,9-10,13,15H,2-3,5-8,11-12H2,1H3,(H,23,24,25);4,9-10,13,15,28H,2-3,5-8,11-12H2,1H3,(H,22,23,24);4,8-9,12,14,22H,1-3,5-7,10-11H2,(H,23,24,25);9,11-12H,3-8,10H2,1-2H3,(H,19,20,21);9,11-12H,3-8,10H2,1-2H3,(H,19,20,21);6-7H,2-5H2,1H3,(H,15,16,17);3-4H,2H2,1H3,(H,7,8);5,7H,2-4H2,1H3;1H3
InChIKeyFVHGYVLAUICVMQ-UHFFFAOYSA-N
XLogP24.87
TPSA699.38 Ų
H-Bond Donors12
H-Bond Acceptors63
Rotatable Bonds54
Heavy Atoms240
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003498.73
LogP ≤ 524.87
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1063

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Analyze 6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate with MolForge

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Related Compounds

6-(azetidin-3-yloxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(1-methylazetidin-3-yl)oxypyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carboxylate;2-methylpropanoyl chloride
CID 157252705
[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(oxetan-3-yloxy)pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-(oxetan-3-yloxy)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(oxetan-3-yloxy)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(oxetan-3-yloxy)pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate
CID 157390839
[1-[4-Cyclobutyloxy-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-2-yl]pyrazol-3-yl]methanol;bis(1-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(hydroxymethyl)pyrazol-1-yl]pyrimidin-4-yl]oxyazetidin-1-yl]-2,2,2-trifluoroethanone);[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;methyl carbonochloridate;methyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(difluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxyazetidine-1-carboxylate;methyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-(3-formylpyrazol-1-yl)pyrimidin-4-yl]oxyazetidine-1-carboxylate;methyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(hydroxymethyl)pyrazol-1-yl]pyrimidin-4-yl]oxyazetidine-1-carboxylate
CID 157517966
dicesium;[1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-2-yl]pyrazol-3-yl]methanol;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(hydroxymethyl)pyrazol-1-yl]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;hydride;2-(2-hydroxyethylamino)ethanol;2-methyloxolane;oxido formate;hydrochloride
CID 157574813
[1-[4-Cyclobutyloxy-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-2-yl]pyrazol-3-yl]methanol;1-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(difluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxyazetidin-1-yl]-2,2-dimethylpropan-1-one;1-[4-[(4,4-difluorocyclohexyl)amino]-6-[1-(2,2-dimethylpropanoyl)azetidin-3-yl]oxypyrimidin-2-yl]pyrazole-3-carbaldehyde;1-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(hydroxymethyl)pyrazol-1-yl]pyrimidin-4-yl]oxyazetidin-1-yl]-2,2-dimethylpropan-1-one;1-[3-[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(hydroxymethyl)pyrazol-1-yl]pyrimidin-4-yl]oxyazetidin-1-yl]-2,2,2-trifluoroethanone;2,2-dimethylpropanoyl chloride
CID 157653322
[1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-2-yl]pyrazol-3-yl]methanol;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;ethyl 1-[4-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate
CID 157978244
[1-[4-(azetidin-3-yloxy)-6-[(4,4-difluorocyclohexyl)amino]pyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-6-(1-methylazetidin-3-yl)oxy-2-methylsulfonylpyrimidin-4-amine;ethyl 2-amino-4-imino-3-methylbut-2-enoate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylazetidin-3-yl)oxypyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;hydrochloride
CID 158882048
4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylic acid;ethyl 1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-(4,6-dichloropyrimidin-2-yl)-4-methylpyrazole-3-carboxylate;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-morpholin-4-ylpyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate;morpholine
CID 159632203
6-cyclopentyloxy-N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-2-yl]pyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)pyrazol-1-yl]-6-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-amine;methyl carbonochloridate;methyl 3-[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(difluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxypyrrolidine-1-carboxylate
CID 160472886
6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;4,6-dichloro-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-6-(1-methylazetidin-3-yl)oxy-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-(1-methylazetidin-3-yl)oxy-2-methylsulfonylpyrimidin-4-amine;ethyl 1H-pyrazole-5-carboxylate;1-methylazetidin-3-ol
CID 160995674
[1-[4-[(4,4-difluorocyclohexyl)amino]-6-(oxetan-3-yloxy)pyrimidin-2-yl]-4-methylpyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)-4-methylpyrazol-1-yl]-6-(oxetan-3-yloxy)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-methylsulfonyl-6-(oxetan-3-yloxy)pyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-(oxetan-3-yloxy)pyrimidin-2-yl]-4-methylpyrazole-3-carboxylate;ethyl 4-methyl-1H-pyrazole-5-carboxylate
CID 162045402
6-(cyclobutylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(difluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(difluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate
CID 162165983

Frequently Asked Questions

What is the IUPAC name of 6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate?
The IUPAC name of 6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate (CID 158152559) is 6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate.
What is the SMILES notation for 6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate?
The canonical SMILES for 6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate is CCOC(=O)c1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OCC3CCN3C)n2)n1.CCOC(=O)c1ccn[nH]1.CN1CCC1CO.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CF)n2)n1.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)n1.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(S(C)(=O)=O)n1.COC(=O)Cl.COC(=O)N1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CF)n2)n1.CSc1nc(Cl)cc(NC2CCC(F)(F)CC2)n1.CSc1nc(NC2CCC(F)(F)CC2)cc(OCC2CCN2C)n1.FCc1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OCC3CCN3)n2)n1.
What is the InChIKey of 6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate?
The InChIKey is FVHGYVLAUICVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F2N6O3.C20H25F3N6O3.C19H25F3N6O.C19H26F2N6O2.C18H23F3N6O.C16H24F2N4O3S.C16H24F2N4OS.C11H14ClF2N3S.C6H8N2O2.C5H11NO.C2H3ClO2/c1-3-31-19(30)16-7-11-29(27-16)20-25-17(24-14-4-8-21(22,23)9-5-14)12-18(26-20)32-13-15-6-10-28(15)2;1-31-19(30)28-8-5-15(28)12-32-17-10-16(24-13-2-6-20(22,23)7-3-13)25-18(26-17)29-9-4-14(11-21)27-29;1-27-8-5-15(27)12-29-17-10-16(23-13-2-6-19(21,22)7-3-13)24-18(25-17)28-9-4-14(11-20)26-28;1-26-8-5-15(26)12-29-17-10-16(22-13-2-6-19(20,21)7-3-13)23-18(24-17)27-9-4-14(11-28)25-27;19-10-13-4-8-27(26-13)17-24-15(23-12-1-5-18(20,21)6-2-12)9-16(25-17)28-11-14-3-7-22-14;1-22-8-5-12(22)10-25-14-9-13(20-15(21-14)26(2,23)24)19-11-3-6-16(17,18)7-4-11;1-22-8-5-12(22)10-23-14-9-13(20-15(21-14)24-2)19-11-3-6-16(17,18)7-4-11;1-18-10-16-8(12)6-9(17-10)15-7-2-4-11(13,14)5-3-7;1-2-10-6(9)5-3-4-7-8-5;1-6-3-2-5(6)4-7;1-5-2(3)4/h7,11-12,14-15H,3-6,8-10,13H2,1-2H3,(H,24,25,26);4,9-10,13,15H,2-3,5-8,11-12H2,1H3,(H,24,25,26);4,9-10,13,15H,2-3,5-8,11-12H2,1H3,(H,23,24,25);4,9-10,13,15,28H,2-3,5-8,11-12H2,1H3,(H,22,23,24);4,8-9,12,14,22H,1-3,5-7,10-11H2,(H,23,24,25);9,11-12H,3-8,10H2,1-2H3,(H,19,20,21);9,11-12H,3-8,10H2,1-2H3,(H,19,20,21);6-7H,2-5H2,1H3,(H,15,16,17);3-4H,2H2,1H3,(H,7,8);5,7H,2-4H2,1H3;1H3.
What are the key properties of 6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate?
6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate has a molecular weight of 3498.73 g/mol, XLogP of 24.87, 54 rotatable bonds, 12 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azetidin-2-ylmethoxy)-N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-amine;6-chloro-N-(4,4-difluorocyclohexyl)-2-methylsulfanylpyrimidin-4-amine;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazol-3-yl]methanol;N-(4,4-difluorocyclohexyl)-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfanylpyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-6-[(1-methylazetidin-2-yl)methoxy]-2-methylsulfonylpyrimidin-4-amine;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-[(1-methylazetidin-2-yl)methoxy]pyrimidin-2-yl]pyrazole-3-carboxylate;ethyl 1H-pyrazole-5-carboxylate;(1-methylazetidin-2-yl)methanol;methyl carbonochloridate;methyl 2-[[6-[(4,4-difluorocyclohexyl)amino]-2-[3-(fluoromethyl)pyrazol-1-yl]pyrimidin-4-yl]oxymethyl]azetidine-1-carboxylate is sourced from PubChem (CID 158152559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).