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

C62H90Cl3F8N17O7S4 — CID 160995674

IUPAC6-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
SMILESCCOC(=O)c1ccn[nH]1.CN1CC(O)C1.CN1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(S(C)(=O)=O)n2)C1.CSc1nc(Cl)cc(Cl)n1.CSc1nc(Cl)cc(NC2CCC(F)(F)CC2)n1.CSc1nc(NC2CCC(F)(F)CC2)cc(OC2CN(C)C2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C15H22F2N4O3S.C15H22F2N4OS.C11H14ClF2N3S.C6H11F2N.C6H8N2O2.C5H4Cl2N2S.C4H9NO/c1-21-8-11(9-21)24-13-7-12(19-14(20-13)25(2,22)23)18-10-3-5-15(16,17)6-4-10;1-21-8-11(9-21)22-13-7-12(19-14(20-13)23-2)18-10-3-5-15(16,17)6-4-10;1-18-10-16-8(12)6-9(17-10)15-7-2-4-11(13,14)5-3-7;7-6(8)3-1-5(9)2-4-6;1-2-10-6(9)5-3-4-7-8-5;1-10-5-8-3(6)2-4(7)9-5;1-5-2-4(6)3-5/h7,10-11H,3-6,8-9H2,1-2H3,(H,18,19,20);7,10-11H,3-6,8-9H2,1-2H3,(H,18,19,20);6-7H,2-5H2,1H3,(H,15,16,17);5H,1-4,9H2;3-4H,2H2,1H3,(H,7,8);2H,1H3;4,6H,2-3H2,1H3
InChIKeyTVFGIMYAJGDAGN-UHFFFAOYSA-N
MW1572.12 g/mol
LogP12.19
Rot. Bonds16

About 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

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 (PubChem CID 160995674) has the molecular formula C62H90Cl3F8N17O7S4 and a molecular weight of 1572.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-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
PubChem CID160995674
Molecular FormulaC62H90Cl3F8N17O7S4
Molecular Weight1572.12 g/mol
Exact Mass1569.50
IUPAC Name6-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
SMILESCCOC(=O)c1ccn[nH]1.CN1CC(O)C1.CN1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(S(C)(=O)=O)n2)C1.CSc1nc(Cl)cc(Cl)n1.CSc1nc(Cl)cc(NC2CCC(F)(F)CC2)n1.CSc1nc(NC2CCC(F)(F)CC2)cc(OC2CN(C)C2)n1.NC1CCC(F)(F)CC1
InChIInChI=1S/C15H22F2N4O3S.C15H22F2N4OS.C11H14ClF2N3S.C6H11F2N.C6H8N2O2.C5H4Cl2N2S.C4H9NO/c1-21-8-11(9-21)24-13-7-12(19-14(20-13)25(2,22)23)18-10-3-5-15(16,17)6-4-10;1-21-8-11(9-21)22-13-7-12(19-14(20-13)23-2)18-10-3-5-15(16,17)6-4-10;1-18-10-16-8(12)6-9(17-10)15-7-2-4-11(13,14)5-3-7;7-6(8)3-1-5(9)2-4-6;1-2-10-6(9)5-3-4-7-8-5;1-10-5-8-3(6)2-4(7)9-5;1-5-2-4(6)3-5/h7,10-11H,3-6,8-9H2,1-2H3,(H,18,19,20);7,10-11H,3-6,8-9H2,1-2H3,(H,18,19,20);6-7H,2-5H2,1H3,(H,15,16,17);5H,1-4,9H2;3-4H,2H2,1H3,(H,7,8);2H,1H3;4,6H,2-3H2,1H3
InChIKeyTVFGIMYAJGDAGN-UHFFFAOYSA-N
XLogP12.19
TPSA302.76 Ų
H-Bond Donors6
H-Bond Acceptors26
Rotatable Bonds16
Heavy Atoms101
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001572.12
LogP ≤ 512.19
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1026

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOC(=O)c1ccn[nH]1.CN1CC(O)C1.CN1CC(Oc2cc(NC3CCC(F)(F)CC3)nc(S(C)(=O)=O)n2)C1.CSc1nc(Cl)cc(Cl)n1.CSc1nc(Cl)cc(NC2CCC(F)(F)CC2)n1.CSc1nc(NC2CCC(F)(F)CC2)cc(OC2CN(C)C2)n1.NC1CCC(F)(F)CC1.
What is the InChIKey of 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?
The InChIKey is TVFGIMYAJGDAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O3S.C15H22F2N4OS.C11H14ClF2N3S.C6H11F2N.C6H8N2O2.C5H4Cl2N2S.C4H9NO/c1-21-8-11(9-21)24-13-7-12(19-14(20-13)25(2,22)23)18-10-3-5-15(16,17)6-4-10;1-21-8-11(9-21)22-13-7-12(19-14(20-13)23-2)18-10-3-5-15(16,17)6-4-10;1-18-10-16-8(12)6-9(17-10)15-7-2-4-11(13,14)5-3-7;7-6(8)3-1-5(9)2-4-6;1-2-10-6(9)5-3-4-7-8-5;1-10-5-8-3(6)2-4(7)9-5;1-5-2-4(6)3-5/h7,10-11H,3-6,8-9H2,1-2H3,(H,18,19,20);7,10-11H,3-6,8-9H2,1-2H3,(H,18,19,20);6-7H,2-5H2,1H3,(H,15,16,17);5H,1-4,9H2;3-4H,2H2,1H3,(H,7,8);2H,1H3;4,6H,2-3H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1572.12 g/mol, XLogP of 12.19, 16 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160995674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).