6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone

C102H133F12N31O8 — CID 157096474

About 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone

6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone (PubChem CID 157096474) has the molecular formula C102H133F12N31O8 and a molecular weight of 2149.37 g/mol. Its IUPAC name is 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone.

Molecular Properties

• Compound Name: 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone
• PubChem CID: 157096474
• Molecular Formula: C102H133F12N31O8
• Molecular Weight: 2149.37 g/mol
• Exact Mass: 2148.08
• IUPAC Name: 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone
• SMILES: CC(=O)c1cc(NC2CCCC(F)(F)C2)nc(-n2nc(C)cc2C)n1.CON(C)C(=O)c1cc(NC2CCCC(F)(F)C2)nc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2nc(NC3CCCC(F)(F)C3)cc(C(=O)O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCCC(F)(F)C3)cc(C(C)O)n2)n1.Cc1cc(C)n(-c2nc(N[C@H]3CCCC(F)(F)C3)cc([C@@H](C)O)n2)n1.Cc1cc(C)n(-c2nc(N[C@H]3CCCC(F)(F)C3)cc([C@H](C)O)n2)n1
• InChI: InChI=1S/C18H24F2N6O2.3C17H23F2N5O.C17H21F2N5O.C16H19F2N5O2/c1-11-8-12(2)26(24-11)17-22-14(16(27)25(3)28-4)9-15(23-17)21-13-6-5-7-18(19,20)10-13;4*1-10-7-11(2)24(23-10)16-21-14(12(3)25)8-15(22-16)20-13-5-4-6-17(18,19)9-13;1-9-6-10(2)23(22-9)15-20-12(14(24)25)7-13(21-15)19-11-4-3-5-16(17,18)8-11/h8-9,13H,5-7,10H2,1-4H3,(H,21,22,23);3*7-8,12-13,25H,4-6,9H2,1-3H3,(H,20,21,22);7-8,13H,4-6,9H2,1-3H3,(H,20,21,22);6-7,11H,3-5,8H2,1-2H3,(H,24,25)(H,19,20,21)/t;12-,13+;12-,13-;;;/m.10.../s1
• InChIKey: AFGPPBXXQRFGHP-IGZQYMRJSA-N
• XLogP: 19.31
• TPSA: 478.38 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 25
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2149.37
LogP ≤ 5	19.31
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone?

The IUPAC name of 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone (CID 157096474) is 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone.

What is the SMILES notation for 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone?

The canonical SMILES for 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone is CC(=O)c1cc(NC2CCCC(F)(F)C2)nc(-n2nc(C)cc2C)n1.CON(C)C(=O)c1cc(NC2CCCC(F)(F)C2)nc(-n2nc(C)cc2C)n1.Cc1cc(C)n(-c2nc(NC3CCCC(F)(F)C3)cc(C(=O)O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCCC(F)(F)C3)cc(C(C)O)n2)n1.Cc1cc(C)n(-c2nc(N[C@H]3CCCC(F)(F)C3)cc([C@@H](C)O)n2)n1.Cc1cc(C)n(-c2nc(N[C@H]3CCCC(F)(F)C3)cc([C@H](C)O)n2)n1.

What is the InChIKey of 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone?

The InChIKey is AFGPPBXXQRFGHP-IGZQYMRJSA-N. The full InChI is InChI=1S/C18H24F2N6O2.3C17H23F2N5O.C17H21F2N5O.C16H19F2N5O2/c1-11-8-12(2)26(24-11)17-22-14(16(27)25(3)28-4)9-15(23-17)21-13-6-5-7-18(19,20)10-13;4*1-10-7-11(2)24(23-10)16-21-14(12(3)25)8-15(22-16)20-13-5-4-6-17(18,19)9-13;1-9-6-10(2)23(22-9)15-20-12(14(24)25)7-13(21-15)19-11-4-3-5-16(17,18)8-11/h8-9,13H,5-7,10H2,1-4H3,(H,21,22,23);3*7-8,12-13,25H,4-6,9H2,1-3H3,(H,20,21,22);7-8,13H,4-6,9H2,1-3H3,(H,20,21,22);6-7,11H,3-5,8H2,1-2H3,(H,24,25)(H,19,20,21)/t;12-,13+;12-,13-;;;/m.10.../s1.

What are the key properties of 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone?

6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone has a molecular weight of 2149.37 g/mol, XLogP of 19.31, 25 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)-N-methoxy-N-methylpyrimidine-4-carboxamide;6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;(1R)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;(1S)-1-[6-[[(1S)-3,3-difluorocyclohexyl]amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanol;1-[6-[(3,3-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]ethanone is sourced from PubChem (CID 157096474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).