4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole

C55H67ClF12N18O2S3 — CID 160975634

About 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole

4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole (PubChem CID 160975634) has the molecular formula C55H67ClF12N18O2S3 and a molecular weight of 1371.89 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole.

Molecular Properties

• Compound Name: 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole
• PubChem CID: 160975634
• Molecular Formula: C55H67ClF12N18O2S3
• Molecular Weight: 1371.89 g/mol
• Exact Mass: 1370.44
• IUPAC Name: 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole
• SMILES: CSc1nc(C(F)F)cc(-n2nc(C)cc2C)n1.CSc1nc(Cl)cc(C(F)F)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2cc(C(F)F)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(C(F)F)nc(S(C)(=O)=O)n2)n1.NC1CCC(F)(F)CC1
• InChI: InChI=1S/C16H19F4N5.C11H12F2N4O2S.C11H12F2N4S.C6H5ClF2N2S.C6H11F2N.C5H8N2/c1-9-7-10(2)25(24-9)13-8-12(14(17)18)22-15(23-13)21-11-3-5-16(19,20)6-4-11;1-6-4-7(2)17(16-6)9-5-8(10(12)13)14-11(15-9)20(3,18)19;1-6-4-7(2)17(16-6)9-5-8(10(12)13)14-11(15-9)18-3;1-12-6-10-3(5(8)9)2-4(7)11-6;7-6(8)3-1-5(9)2-4-6;1-4-3-5(2)7-6-4/h7-8,11,14H,3-6H2,1-2H3,(H,21,22,23);4-5,10H,1-3H3;4-5,10H,1-3H3;2,5H,1H3;5H,1-4,9H2;3H,1-2H3,(H,6,7)
• InChIKey: SYVDIUQLHMZYFA-UHFFFAOYSA-N
• XLogP: 14.10
• TPSA: 257.45 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 21
• Rotatable Bonds: 12
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1371.89
LogP ≤ 5	14.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole?

The IUPAC name of 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole (CID 160975634) is 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole.

What is the SMILES notation for 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole?

The canonical SMILES for 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole is CSc1nc(C(F)F)cc(-n2nc(C)cc2C)n1.CSc1nc(Cl)cc(C(F)F)n1.Cc1cc(C)[nH]n1.Cc1cc(C)n(-c2cc(C(F)F)nc(NC3CCC(F)(F)CC3)n2)n1.Cc1cc(C)n(-c2cc(C(F)F)nc(S(C)(=O)=O)n2)n1.NC1CCC(F)(F)CC1.

What is the InChIKey of 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole?

The InChIKey is SYVDIUQLHMZYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F4N5.C11H12F2N4O2S.C11H12F2N4S.C6H5ClF2N2S.C6H11F2N.C5H8N2/c1-9-7-10(2)25(24-9)13-8-12(14(17)18)22-15(23-13)21-11-3-5-16(19,20)6-4-11;1-6-4-7(2)17(16-6)9-5-8(10(12)13)14-11(15-9)20(3,18)19;1-6-4-7(2)17(16-6)9-5-8(10(12)13)14-11(15-9)18-3;1-12-6-10-3(5(8)9)2-4(7)11-6;7-6(8)3-1-5(9)2-4-6;1-4-3-5(2)7-6-4/h7-8,11,14H,3-6H2,1-2H3,(H,21,22,23);4-5,10H,1-3H3;4-5,10H,1-3H3;2,5H,1H3;5H,1-4,9H2;3H,1-2H3,(H,6,7).

What are the key properties of 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole?

4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole has a molecular weight of 1371.89 g/mol, XLogP of 14.10, 12 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-(difluoromethyl)-2-methylsulfanylpyrimidine;4,4-difluorocyclohexan-1-amine;N-(4,4-difluorocyclohexyl)-4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-amine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfanylpyrimidine;4-(difluoromethyl)-6-(3,5-dimethylpyrazol-1-yl)-2-methylsulfonylpyrimidine;3,5-dimethyl-1H-pyrazole is sourced from PubChem (CID 160975634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).