6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine

C38H51ClF4N18 — CID 161067753

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine (PubChem CID 161067753) has the molecular formula C38H51ClF4N18 and a molecular weight of 871.40 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine
• PubChem CID: 161067753
• Molecular Formula: C38H51ClF4N18
• Molecular Weight: 871.40 g/mol
• Exact Mass: 870.42
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine
• SMILES: Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NCc3cnn(C)n3)cc(NC3CCC(F)(F)CC3)n2)n1.Cn1ncc(CN)n1
• InChI: InChI=1S/C19H25F2N9.C15H18ClF2N5.C4H8N4/c1-12-8-13(2)30(27-12)18-25-16(22-10-15-11-23-29(3)28-15)9-17(26-18)24-14-4-6-19(20,21)7-5-14;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;1-8-6-3-4(2-5)7-8/h8-9,11,14H,4-7,10H2,1-3H3,(H2,22,24,25,26);7-8,11H,3-6H2,1-2H3,(H,19,20,21);3H,2,5H2,1H3
• InChIKey: UEGDNIIDKLABMS-UHFFFAOYSA-N
• XLogP: 6.21
• TPSA: 210.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	871.40
LogP ≤ 5	6.21
H-Bond Donors ≤ 5	4
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;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine (CID 161067753) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine.

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

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine is Cc1cc(C)n(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(NCc3cnn(C)n3)cc(NC3CCC(F)(F)CC3)n2)n1.Cn1ncc(CN)n1.

What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine?

The InChIKey is UEGDNIIDKLABMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F2N9.C15H18ClF2N5.C4H8N4/c1-12-8-13(2)30(27-12)18-25-16(22-10-15-11-23-29(3)28-15)9-17(26-18)24-14-4-6-19(20,21)7-5-14;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;1-8-6-3-4(2-5)7-8/h8-9,11,14H,4-7,10H2,1-3H3,(H2,22,24,25,26);7-8,11H,3-6H2,1-2H3,(H,19,20,21);3H,2,5H2,1H3.

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

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine has a molecular weight of 871.40 g/mol, XLogP of 6.21, 10 rotatable bonds, 4 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;4-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-N-[(2-methyltriazol-4-yl)methyl]pyrimidine-4,6-diamine;(2-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 161067753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).