2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate

C68H87ClF8N20O6 — CID 160812075

About 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate

2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate (PubChem CID 160812075) has the molecular formula C68H87ClF8N20O6 and a molecular weight of 1468.01 g/mol. Its IUPAC name is 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate
• PubChem CID: 160812075
• Molecular Formula: C68H87ClF8N20O6
• Molecular Weight: 1468.01 g/mol
• Exact Mass: 1466.67
• IUPAC Name: 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate
• SMILES: CCOC(=O)c1cc(C)[nH]n1.CCOC(=O)c1cc(C)n(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C=O)cc2C)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2nc(CO)cc2C)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1
• InChI: InChI=1S/C18H23F2N5O2.C16H21F2N5O.C16H19F2N5O.C11H14ClF2N3.C7H10N2O2/c1-4-27-16(26)14-10-12(3)25(24-14)17-21-11(2)9-15(23-17)22-13-5-7-18(19,20)8-6-13;2*1-10-7-14(20-12-3-5-16(17,18)6-4-12)21-15(19-10)23-11(2)8-13(9-24)22-23;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-3-11-7(10)6-4-5(2)8-9-6/h9-10,13H,4-8H2,1-3H3,(H,21,22,23);7-8,12,24H,3-6,9H2,1-2H3,(H,19,20,21);7-9,12H,3-6H2,1-2H3,(H,19,20,21);6,8H,2-5H2,1H3,(H,15,16,17);4H,3H2,1-2H3,(H,8,9)
• InChIKey: SEKRBDUKFXOFOK-UHFFFAOYSA-N
• XLogP: 13.61
• TPSA: 323.28 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1468.01
LogP ≤ 5	13.61
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate?

The IUPAC name of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate (CID 160812075) is 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate.

What is the SMILES notation for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate?

The canonical SMILES for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate is CCOC(=O)c1cc(C)[nH]n1.CCOC(=O)c1cc(C)n(-c2nc(C)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2nc(C=O)cc2C)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(-n2nc(CO)cc2C)n1.Cc1cc(NC2CCC(F)(F)CC2)nc(Cl)n1.

What is the InChIKey of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate?

The InChIKey is SEKRBDUKFXOFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2.C16H21F2N5O.C16H19F2N5O.C11H14ClF2N3.C7H10N2O2/c1-4-27-16(26)14-10-12(3)25(24-14)17-21-11(2)9-15(23-17)22-13-5-7-18(19,20)8-6-13;2*1-10-7-14(20-12-3-5-16(17,18)6-4-12)21-15(19-10)23-11(2)8-13(9-24)22-23;1-7-6-9(17-10(12)15-7)16-8-2-4-11(13,14)5-3-8;1-3-11-7(10)6-4-5(2)8-9-6/h9-10,13H,4-8H2,1-3H3,(H,21,22,23);7-8,12,24H,3-6,9H2,1-2H3,(H,19,20,21);7-9,12H,3-6H2,1-2H3,(H,19,20,21);6,8H,2-5H2,1H3,(H,15,16,17);4H,3H2,1-2H3,(H,8,9).

What are the key properties of 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate?

2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate has a molecular weight of 1468.01 g/mol, XLogP of 13.61, 17 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-N-(4,4-difluorocyclohexyl)-6-methylpyrimidin-4-amine;1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carbaldehyde;[1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazol-3-yl]methanol;ethyl 1-[4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidin-2-yl]-5-methylpyrazole-3-carboxylate;ethyl 5-methyl-1H-pyrazole-3-carboxylate is sourced from PubChem (CID 160812075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).