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

C98H124ClF16N29O11 — CID 162165983

About 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

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 (PubChem CID 162165983) has the molecular formula C98H124ClF16N29O11 and a molecular weight of 2223.68 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 162165983
• Molecular Formula: C98H124ClF16N29O11
• Molecular Weight: 2223.68 g/mol
• Exact Mass: 2221.95
• IUPAC Name: 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
• SMILES: CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)F)n2)n1.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C=O)n2)n1.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)n1.COC(=O)Cl.COC(=O)N1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)F)n2)n1.FC(F)c1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OCC3CCC3)n2)n1
• InChI: InChI=1S/C20H24F4N6O3.C19H24F4N6O.C19H23F4N5O.C19H26F2N6O2.C19H24F2N6O2.C2H3ClO2/c1-32-19(31)29-8-4-13(29)11-33-16-10-15(25-12-2-6-20(23,24)7-3-12)26-18(27-16)30-9-5-14(28-30)17(21)22;1-28-8-4-13(28)11-30-16-10-15(24-12-2-6-19(22,23)7-3-12)25-18(26-16)29-9-5-14(27-29)17(20)21;20-17(21)14-6-9-28(27-14)18-25-15(24-13-4-7-19(22,23)8-5-13)10-16(26-18)29-11-12-2-1-3-12;2*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;1-5-2(3)4/h5,9-10,12-13,17H,2-4,6-8,11H2,1H3,(H,25,26,27);5,9-10,12-13,17H,2-4,6-8,11H2,1H3,(H,24,25,26);6,9-10,12-13,17H,1-5,7-8,11H2,(H,24,25,26);4,9-10,13,15,28H,2-3,5-8,11-12H2,1H3,(H,22,23,24);4,9-11,13,15H,2-3,5-8,12H2,1H3,(H,22,23,24);1H3
• InChIKey: ZNDCBSVZTUFVIA-UHFFFAOYSA-N
• XLogP: 18.02
• TPSA: 427.16 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 39
• Rotatable Bonds: 35
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2223.68
LogP ≤ 5	18.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)F)n2)n1.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C=O)n2)n1.CN1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(CO)n2)n1.COC(=O)Cl.COC(=O)N1CCC1COc1cc(NC2CCC(F)(F)CC2)nc(-n2ccc(C(F)F)n2)n1.FC(F)c1ccn(-c2nc(NC3CCC(F)(F)CC3)cc(OCC3CCC3)n2)n1.

What is the InChIKey of 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?

The InChIKey is ZNDCBSVZTUFVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24F4N6O3.C19H24F4N6O.C19H23F4N5O.C19H26F2N6O2.C19H24F2N6O2.C2H3ClO2/c1-32-19(31)29-8-4-13(29)11-33-16-10-15(25-12-2-6-20(23,24)7-3-12)26-18(27-16)30-9-5-14(28-30)17(21)22;1-28-8-4-13(28)11-30-16-10-15(24-12-2-6-19(22,23)7-3-12)25-18(26-16)29-9-5-14(27-29)17(20)21;20-17(21)14-6-9-28(27-14)18-25-15(24-13-4-7-19(22,23)8-5-13)10-16(26-18)29-11-12-2-1-3-12;2*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;1-5-2(3)4/h5,9-10,12-13,17H,2-4,6-8,11H2,1H3,(H,25,26,27);5,9-10,12-13,17H,2-4,6-8,11H2,1H3,(H,24,25,26);6,9-10,12-13,17H,1-5,7-8,11H2,(H,24,25,26);4,9-10,13,15,28H,2-3,5-8,11-12H2,1H3,(H,22,23,24);4,9-11,13,15H,2-3,5-8,12H2,1H3,(H,22,23,24);1H3.

What are the key properties of 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?

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 has a molecular weight of 2223.68 g/mol, XLogP of 18.02, 35 rotatable bonds, 6 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 162165983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).