6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate

C68H87ClF8N20O7 — CID 161257849

About 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;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-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate (PubChem CID 161257849) has the molecular formula C68H87ClF8N20O7 and a molecular weight of 1484.01 g/mol. Its IUPAC name is 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;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-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate
• PubChem CID: 161257849
• Molecular Formula: C68H87ClF8N20O7
• Molecular Weight: 1484.01 g/mol
• Exact Mass: 1482.66
• IUPAC Name: 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;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.COC(=O)c1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C(=O)O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C(C)(C)O)n2)n1
• InChI: InChI=1S/C18H25F2N5O.C17H21F2N5O2.C16H19F2N5O2.C12H14ClF2N3O2.C5H8N2/c1-11-9-12(2)25(24-11)16-22-14(17(3,4)26)10-15(23-16)21-13-5-7-18(19,20)8-6-13;1-10-8-11(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;1-9-7-10(2)23(22-9)15-20-12(14(24)25)8-13(21-15)19-11-3-5-16(17,18)6-4-11;1-20-10(19)8-6-9(18-11(13)17-8)16-7-2-4-12(14,15)5-3-7;1-4-3-5(2)7-6-4/h9-10,13,26H,5-8H2,1-4H3,(H,21,22,23);8-9,12H,4-7H2,1-3H3,(H,20,21,22);7-8,11H,3-6H2,1-2H3,(H,24,25)(H,19,20,21);6-7H,2-5H2,1H3,(H,16,17,18);3H,1-2H3,(H,6,7)
• InChIKey: VCDYLEGYRFSLNZ-UHFFFAOYSA-N
• XLogP: 13.45
• TPSA: 343.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1484.01
LogP ≤ 5	13.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;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-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate (CID 161257849) is 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;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-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;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-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;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.COC(=O)c1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C(=O)O)n2)n1.Cc1cc(C)n(-c2nc(NC3CCC(F)(F)CC3)cc(C(C)(C)O)n2)n1.

What is the InChIKey of 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate?

The InChIKey is VCDYLEGYRFSLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2N5O.C17H21F2N5O2.C16H19F2N5O2.C12H14ClF2N3O2.C5H8N2/c1-11-9-12(2)25(24-11)16-22-14(17(3,4)26)10-15(23-16)21-13-5-7-18(19,20)8-6-13;1-10-8-11(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;1-9-7-10(2)23(22-9)15-20-12(14(24)25)8-13(21-15)19-11-3-5-16(17,18)6-4-11;1-20-10(19)8-6-9(18-11(13)17-8)16-7-2-4-12(14,15)5-3-7;1-4-3-5(2)7-6-4/h9-10,13,26H,5-8H2,1-4H3,(H,21,22,23);8-9,12H,4-7H2,1-3H3,(H,20,21,22);7-8,11H,3-6H2,1-2H3,(H,24,25)(H,19,20,21);6-7H,2-5H2,1H3,(H,16,17,18);3H,1-2H3,(H,6,7).

What are the key properties of 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;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-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate has a molecular weight of 1484.01 g/mol, XLogP of 13.45, 15 rotatable bonds, 7 hydrogen bond donors, and 25 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-carboxylic acid;2-[6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]propan-2-ol;3,5-dimethyl-1H-pyrazole;methyl 2-chloro-6-[(4,4-difluorocyclohexyl)amino]pyrimidine-4-carboxylate;methyl 6-[(4,4-difluorocyclohexyl)amino]-2-(3,5-dimethylpyrazol-1-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 161257849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).