6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine

C52H74BrF6N17O — CID 157158136

About 6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine

6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine (PubChem CID 157158136) has the molecular formula C52H74BrF6N17O and a molecular weight of 1147.17 g/mol. Its IUPAC name is 6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine.

Molecular Properties

• Compound Name: 6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine
• PubChem CID: 157158136
• Molecular Formula: C52H74BrF6N17O
• Molecular Weight: 1147.17 g/mol
• Exact Mass: 1145.53
• IUPAC Name: 6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine
• SMILES: CNC.Cc1cc(C)n(-c2nc(CBr)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(CN(C)C)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(CO)cc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/C18H26F2N6.C16H20BrF2N5.C16H21F2N5O.C2H7N/c1-12-9-13(2)26(24-12)17-22-15(11-25(3)4)10-16(23-17)21-14-5-7-18(19,20)8-6-14;1-10-7-11(2)24(23-10)15-21-13(9-17)8-14(22-15)20-12-3-5-16(18,19)6-4-12;1-10-7-11(2)23(22-10)15-20-13(9-24)8-14(21-15)19-12-3-5-16(17,18)6-4-12;1-3-2/h9-10,14H,5-8,11H2,1-4H3,(H,21,22,23);7-8,12H,3-6,9H2,1-2H3,(H,20,21,22);7-8,12,24H,3-6,9H2,1-2H3,(H,19,20,21);3H,1-2H3
• InChIKey: AMBBODSZWCRTMC-UHFFFAOYSA-N
• XLogP: 10.09
• TPSA: 202.39 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1147.17
LogP ≤ 5	10.09
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine (CID 157158136) is 6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine.

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

The canonical SMILES for 6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine is CNC.Cc1cc(C)n(-c2nc(CBr)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(CN(C)C)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(CO)cc(NC3CCC(F)(F)CC3)n2)n1.

What is the InChIKey of 6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine?

The InChIKey is AMBBODSZWCRTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26F2N6.C16H20BrF2N5.C16H21F2N5O.C2H7N/c1-12-9-13(2)26(24-12)17-22-15(11-25(3)4)10-16(23-17)21-14-5-7-18(19,20)8-6-14;1-10-7-11(2)24(23-10)15-21-13(9-17)8-14(22-15)20-12-3-5-16(18,19)6-4-12;1-10-7-11(2)23(22-10)15-20-13(9-24)8-14(21-15)19-12-3-5-16(17,18)6-4-12;1-3-2/h9-10,14H,5-8,11H2,1-4H3,(H,21,22,23);7-8,12H,3-6,9H2,1-2H3,(H,20,21,22);7-8,12,24H,3-6,9H2,1-2H3,(H,19,20,21);3H,1-2H3.

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

6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine has a molecular weight of 1147.17 g/mol, XLogP of 10.09, 13 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(bromomethyl)-N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-6-[(dimethylamino)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine;N-methylmethanamine is sourced from PubChem (CID 157158136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).