6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate

C65H81F9N20O4 — CID 161268505

About 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate

6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate (PubChem CID 161268505) has the molecular formula C65H81F9N20O4 and a molecular weight of 1377.48 g/mol. Its IUPAC name is 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate
• PubChem CID: 161268505
• Molecular Formula: C65H81F9N20O4
• Molecular Weight: 1377.48 g/mol
• Exact Mass: 1376.66
• IUPAC Name: 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate
• SMILES: COC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2nc(C=O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(CF)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(CO)cc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/C17H21F2N5O2.C16H20F3N5.C16H21F2N5O.C16H19F2N5O/c1-10-8-11(2)24(23-10)16-21-13(15(25)26-3)9-14(22-16)20-12-4-6-17(18,19)7-5-12;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;2*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/h8-9,12H,4-7H2,1-3H3,(H,20,21,22);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);7-9,12H,3-6H2,1-2H3,(H,19,20,21)
• InChIKey: VDMSUHGVHMWURA-UHFFFAOYSA-N
• XLogP: 12.64
• TPSA: 286.12 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 16
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1377.48
LogP ≤ 5	12.64
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate (CID 161268505) is 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate.

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

The canonical SMILES for 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate is COC(=O)c1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2nc(C=O)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2nc(CF)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-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate?

The InChIKey is VDMSUHGVHMWURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2N5O2.C16H20F3N5.C16H21F2N5O.C16H19F2N5O/c1-10-8-11(2)24(23-10)16-21-13(15(25)26-3)9-14(22-16)20-12-4-6-17(18,19)7-5-12;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;2*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/h8-9,12H,4-7H2,1-3H3,(H,20,21,22);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);7-9,12H,3-6H2,1-2H3,(H,19,20,21).

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

6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate has a molecular weight of 1377.48 g/mol, XLogP of 12.64, 16 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbaldehyde;[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-2-(3,5-dimethylpyrazol-1-yl)-6-(fluoromethyl)pyrimidin-4-amine;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 161268505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).