6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol

C38H49ClF4N16O2 — CID 161017914

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol (PubChem CID 161017914) has the molecular formula C38H49ClF4N16O2 and a molecular weight of 873.36 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol
• PubChem CID: 161017914
• Molecular Formula: C38H49ClF4N16O2
• Molecular Weight: 873.36 g/mol
• Exact Mass: 872.38
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol
• SMILES: Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(OCc3ncn(C)n3)n2)n1.Cn1cnc(CO)n1
• InChI: InChI=1S/C19H24F2N8O.C15H18ClF2N5.C4H7N3O/c1-12-8-13(2)29(26-12)18-24-15(23-14-4-6-19(20,21)7-5-14)9-17(25-18)30-10-16-22-11-28(3)27-16;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-7-3-5-4(2-8)6-7/h8-9,11,14H,4-7,10H2,1-3H3,(H,23,24,25);7-8,11H,3-6H2,1-2H3,(H,19,20,21);3,8H,2H2,1H3
• InChIKey: TXYWDKDIUJHYHN-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 202.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	873.36
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol (CID 161017914) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol.

What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol?

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol is Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(OCc3ncn(C)n3)n2)n1.Cn1cnc(CO)n1.

What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol?

The InChIKey is TXYWDKDIUJHYHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N8O.C15H18ClF2N5.C4H7N3O/c1-12-8-13(2)29(26-12)18-24-15(23-14-4-6-19(20,21)7-5-14)9-17(25-18)30-10-16-22-11-28(3)27-16;1-9-7-10(2)23(22-9)14-20-12(16)8-13(21-14)19-11-3-5-15(17,18)6-4-11;1-7-3-5-4(2-8)6-7/h8-9,11,14H,4-7,10H2,1-3H3,(H,23,24,25);7-8,11H,3-6H2,1-2H3,(H,19,20,21);3,8H,2H2,1H3.

What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol?

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol has a molecular weight of 873.36 g/mol, XLogP of 6.21, 10 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-[(1-methyl-1,2,4-triazol-3-yl)methoxy]pyrimidin-4-amine;(1-methyl-1,2,4-triazol-3-yl)methanol is sourced from PubChem (CID 161017914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).