5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine

C49H62Br3F6N15 — CID 161261125

About 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine

5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 161261125) has the molecular formula C49H62Br3F6N15 and a molecular weight of 1214.84 g/mol. Its IUPAC name is 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

• Compound Name: 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine
• PubChem CID: 161261125
• Molecular Formula: C49H62Br3F6N15
• Molecular Weight: 1214.84 g/mol
• Exact Mass: 1211.28
• IUPAC Name: 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine
• SMILES: Cc1cc(-n2nc(C)cc2C)nc(NC2CCC(F)(F)CC2)n1.Cc1nc(NC2CCC(F)(F)CC2)nc(-n2nc(C)c(Br)c2C)c1Br.Cc1nn(-c2nc(NC3CCC(F)(F)CC3)nc(C)c2Br)c(C)c1C
• InChI: InChI=1S/C17H22BrF2N5.C16H19Br2F2N5.C16H21F2N5/c1-9-10(2)24-25(12(9)4)15-14(18)11(3)21-16(23-15)22-13-5-7-17(19,20)8-6-13;1-8-13(18)14(25-10(3)12(17)9(2)24-25)23-15(21-8)22-11-4-6-16(19,20)7-5-11;1-10-9-14(23-12(3)8-11(2)22-23)21-15(19-10)20-13-4-6-16(17,18)7-5-13/h13H,5-8H2,1-4H3,(H,21,22,23);11H,4-7H2,1-3H3,(H,21,22,23);8-9,13H,4-7H2,1-3H3,(H,19,20,21)
• InChIKey: VCOGPWQNPBZKMV-UHFFFAOYSA-N
• XLogP: 13.33
• TPSA: 166.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1214.84
LogP ≤ 5	13.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine?

The IUPAC name of 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine (CID 161261125) is 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine.

What is the SMILES notation for 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine?

The canonical SMILES for 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine is Cc1cc(-n2nc(C)cc2C)nc(NC2CCC(F)(F)CC2)n1.Cc1nc(NC2CCC(F)(F)CC2)nc(-n2nc(C)c(Br)c2C)c1Br.Cc1nn(-c2nc(NC3CCC(F)(F)CC3)nc(C)c2Br)c(C)c1C.

What is the InChIKey of 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine?

The InChIKey is VCOGPWQNPBZKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrF2N5.C16H19Br2F2N5.C16H21F2N5/c1-9-10(2)24-25(12(9)4)15-14(18)11(3)21-16(23-15)22-13-5-7-17(19,20)8-6-13;1-8-13(18)14(25-10(3)12(17)9(2)24-25)23-15(21-8)22-11-4-6-16(19,20)7-5-11;1-10-9-14(23-12(3)8-11(2)22-23)21-15(19-10)20-13-4-6-16(17,18)7-5-13/h13H,5-8H2,1-4H3,(H,21,22,23);11H,4-7H2,1-3H3,(H,21,22,23);8-9,13H,4-7H2,1-3H3,(H,19,20,21).

What are the key properties of 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine?

5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 1214.84 g/mol, XLogP of 13.33, 9 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-2-amine;5-bromo-N-(4,4-difluorocyclohexyl)-4-methyl-6-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 161261125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).