4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate

C98H122ClF12N31O6 — CID 159431150

About 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate (PubChem CID 159431150) has the molecular formula C98H122ClF12N31O6 and a molecular weight of 2093.69 g/mol. Its IUPAC name is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate.

Molecular Properties

• Compound Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate
• PubChem CID: 159431150
• Molecular Formula: C98H122ClF12N31O6
• Molecular Weight: 2093.69 g/mol
• Exact Mass: 2091.97
• IUPAC Name: 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate
• SMILES: CCOC(=O)c1cc(-n2nc(C)cc2C)nc(NC2CCC(F)(F)CC2)n1.COCc1cc(-n2nc(C)cc2C)nc(NC2CCC(F)(F)CC2)n1.Cc1cc(C)n(-c2cc(C#N)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(C(=O)O)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(CO)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(Cl)nc(NC3CCC(F)(F)CC3)n2)n1
• InChI: InChI=1S/C18H23F2N5O2.C17H23F2N5O.C16H18F2N6.C16H19F2N5O2.C16H21F2N5O.C15H18ClF2N5/c1-4-27-16(26)14-10-15(25-12(3)9-11(2)24-25)23-17(22-14)21-13-5-7-18(19,20)8-6-13;1-11-8-12(2)24(23-11)15-9-14(10-25-3)21-16(22-15)20-13-4-6-17(18,19)7-5-13;1-10-7-11(2)24(23-10)14-8-13(9-19)21-15(22-14)20-12-3-5-16(17,18)6-4-12;1-9-7-10(2)23(22-9)13-8-12(14(24)25)20-15(21-13)19-11-3-5-16(17,18)6-4-11;1-10-7-11(2)23(22-10)14-8-13(9-24)20-15(21-14)19-12-3-5-16(17,18)6-4-12;1-9-7-10(2)23(22-9)13-8-12(16)20-14(21-13)19-11-3-5-15(17,18)6-4-11/h9-10,13H,4-8H2,1-3H3,(H,21,22,23);8-9,13H,4-7,10H2,1-3H3,(H,20,21,22);7-8,12H,3-6H2,1-2H3,(H,20,21,22);7-8,11H,3-6H2,1-2H3,(H,24,25)(H,19,20,21);7-8,12,24H,3-6,9H2,1-2H3,(H,19,20,21);7-8,11H,3-6H2,1-2H3,(H,19,20,21)
• InChIKey: LQZQSMWGCDGSAV-UHFFFAOYSA-N
• XLogP: 19.65
• TPSA: 450.63 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 36
• Rotatable Bonds: 24
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2093.69
LogP ≤ 5	19.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate?

The IUPAC name of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate (CID 159431150) is 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate.

What is the SMILES notation for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate?

The canonical SMILES for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate is CCOC(=O)c1cc(-n2nc(C)cc2C)nc(NC2CCC(F)(F)CC2)n1.COCc1cc(-n2nc(C)cc2C)nc(NC2CCC(F)(F)CC2)n1.Cc1cc(C)n(-c2cc(C#N)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(C(=O)O)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(CO)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(Cl)nc(NC3CCC(F)(F)CC3)n2)n1.

What is the InChIKey of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate?

The InChIKey is LQZQSMWGCDGSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2.C17H23F2N5O.C16H18F2N6.C16H19F2N5O2.C16H21F2N5O.C15H18ClF2N5/c1-4-27-16(26)14-10-15(25-12(3)9-11(2)24-25)23-17(22-14)21-13-5-7-18(19,20)8-6-13;1-11-8-12(2)24(23-11)15-9-14(10-25-3)21-16(22-15)20-13-4-6-17(18,19)7-5-13;1-10-7-11(2)24(23-10)14-8-13(9-19)21-15(22-14)20-12-3-5-16(17,18)6-4-12;1-9-7-10(2)23(22-9)13-8-12(14(24)25)20-15(21-13)19-11-3-5-16(17,18)6-4-11;1-10-7-11(2)23(22-10)14-8-13(9-24)20-15(21-14)19-12-3-5-16(17,18)6-4-12;1-9-7-10(2)23(22-9)13-8-12(16)20-14(21-13)19-11-3-5-15(17,18)6-4-11/h9-10,13H,4-8H2,1-3H3,(H,21,22,23);8-9,13H,4-7,10H2,1-3H3,(H,20,21,22);7-8,12H,3-6H2,1-2H3,(H,20,21,22);7-8,11H,3-6H2,1-2H3,(H,24,25)(H,19,20,21);7-8,12,24H,3-6,9H2,1-2H3,(H,19,20,21);7-8,11H,3-6H2,1-2H3,(H,19,20,21).

What are the key properties of 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate?

4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate has a molecular weight of 2093.69 g/mol, XLogP of 19.65, 24 rotatable bonds, 8 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(4,4-difluorocyclohexyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carbonitrile;2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;[2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]methanol;N-(4,4-difluorocyclohexyl)-4-(3,5-dimethylpyrazol-1-yl)-6-(methoxymethyl)pyrimidin-2-amine;ethyl 2-[(4,4-difluorocyclohexyl)amino]-6-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 159431150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).