6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole

C37H43Cl5F4N14O2S — CID 160512773

About 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole (PubChem CID 160512773) has the molecular formula C37H43Cl5F4N14O2S and a molecular weight of 1001.17 g/mol. Its IUPAC name is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole.

Molecular Properties

• Compound Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole
• PubChem CID: 160512773
• Molecular Formula: C37H43Cl5F4N14O2S
• Molecular Weight: 1001.17 g/mol
• Exact Mass: 998.18
• IUPAC Name: 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole
• SMILES: CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Cc1ccn(-c2nc(Cl)cc(Cl)n2)n1.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn[nH]1.NC1CCC(F)(F)CC1
• InChI: InChI=1S/C14H16ClF2N5.C8H6Cl2N4.C6H11F2N.C5H4Cl2N2O2S.C4H6N2/c1-9-4-7-22(21-9)13-19-11(15)8-12(20-13)18-10-2-5-14(16,17)6-3-10;1-5-2-3-14(13-5)8-11-6(9)4-7(10)12-8;7-6(8)3-1-5(9)2-4-6;1-12(10,11)5-8-3(6)2-4(7)9-5;1-4-2-3-5-6-4/h4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);2-4H,1H3;5H,1-4,9H2;2H,1H3;2-3H,1H3,(H,5,6)
• InChIKey: QTGNUALYZLRJAC-UHFFFAOYSA-N
• XLogP: 9.32
• TPSA: 213.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1001.17
LogP ≤ 5	9.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole?

The IUPAC name of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole (CID 160512773) is 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole.

What is the SMILES notation for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole?

The canonical SMILES for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole is CS(=O)(=O)c1nc(Cl)cc(Cl)n1.Cc1ccn(-c2nc(Cl)cc(Cl)n2)n1.Cc1ccn(-c2nc(Cl)cc(NC3CCC(F)(F)CC3)n2)n1.Cc1ccn[nH]1.NC1CCC(F)(F)CC1.

What is the InChIKey of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole?

The InChIKey is QTGNUALYZLRJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF2N5.C8H6Cl2N4.C6H11F2N.C5H4Cl2N2O2S.C4H6N2/c1-9-4-7-22(21-9)13-19-11(15)8-12(20-13)18-10-2-5-14(16,17)6-3-10;1-5-2-3-14(13-5)8-11-6(9)4-7(10)12-8;7-6(8)3-1-5(9)2-4-6;1-12(10,11)5-8-3(6)2-4(7)9-5;1-4-2-3-5-6-4/h4,7-8,10H,2-3,5-6H2,1H3,(H,18,19,20);2-4H,1H3;5H,1-4,9H2;2H,1H3;2-3H,1H3,(H,5,6).

What are the key properties of 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole?

6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole has a molecular weight of 1001.17 g/mol, XLogP of 9.32, 5 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-chloro-N-(4,4-difluorocyclohexyl)-2-(3-methylpyrazol-1-yl)pyrimidin-4-amine;4,6-dichloro-2-(3-methylpyrazol-1-yl)pyrimidine;4,6-dichloro-2-methylsulfonylpyrimidine;4,4-difluorocyclohexan-1-amine;5-methyl-1H-pyrazole is sourced from PubChem (CID 160512773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).