N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine

C83H72F6N22OS3 — CID 123717511

About N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine

N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine (PubChem CID 123717511) has the molecular formula C83H72F6N22OS3 and a molecular weight of 1603.83 g/mol. Its IUPAC name is N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine.

Molecular Properties

• Compound Name: N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
• PubChem CID: 123717511
• Molecular Formula: C83H72F6N22OS3
• Molecular Weight: 1603.83 g/mol
• Exact Mass: 1602.53
• IUPAC Name: N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine
• SMILES: C=S(C)(=O)c1nccc(-c2cnn(-c3ccc(F)cc3F)c2)n1.CSc1nccc(-c2cn(-c3ccccc3)nc2C)n1.CSc1nccc(-c2cnn(-c3ccc(F)cc3F)c2)n1.Cc1nn(-c2ccccc2)cc1-c1ccnc(Nc2ccccc2)n1.Fc1ccc(-n2cc(-c3ccnc(NC4CCCCC4)n3)cn2)c(F)c1
• InChI: InChI=1S/C20H17N5.C19H19F2N5.C15H12F2N4OS.C15H14N4S.C14H10F2N4S/c1-15-18(14-25(24-15)17-10-6-3-7-11-17)19-12-13-21-20(23-19)22-16-8-4-2-5-9-16;20-14-6-7-18(16(21)10-14)26-12-13(11-23-26)17-8-9-22-19(25-17)24-15-4-2-1-3-5-15;1-23(2,22)15-18-6-5-13(20-15)10-8-19-21(9-10)14-4-3-11(16)7-12(14)17;1-11-13(14-8-9-16-15(17-14)20-2)10-19(18-11)12-6-4-3-5-7-12;1-21-14-17-5-4-12(19-14)9-7-18-20(8-9)13-3-2-10(15)6-11(13)16/h2-14H,1H3,(H,21,22,23);6-12,15H,1-5H2,(H,22,24,25);3-9H,1H2,2H3;3-10H,1-2H3;2-8H,1H3
• InChIKey: MOVLVNPUQRGPRG-UHFFFAOYSA-N
• XLogP: 17.74
• TPSA: 259.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1603.83
LogP ≤ 5	17.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine?

The IUPAC name of N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine (CID 123717511) is N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine.

What is the SMILES notation for N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine?

The canonical SMILES for N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine is C=S(C)(=O)c1nccc(-c2cnn(-c3ccc(F)cc3F)c2)n1.CSc1nccc(-c2cn(-c3ccccc3)nc2C)n1.CSc1nccc(-c2cnn(-c3ccc(F)cc3F)c2)n1.Cc1nn(-c2ccccc2)cc1-c1ccnc(Nc2ccccc2)n1.Fc1ccc(-n2cc(-c3ccnc(NC4CCCCC4)n3)cn2)c(F)c1.

What is the InChIKey of N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine?

The InChIKey is MOVLVNPUQRGPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5.C19H19F2N5.C15H12F2N4OS.C15H14N4S.C14H10F2N4S/c1-15-18(14-25(24-15)17-10-6-3-7-11-17)19-12-13-21-20(23-19)22-16-8-4-2-5-9-16;20-14-6-7-18(16(21)10-14)26-12-13(11-23-26)17-8-9-22-19(25-17)24-15-4-2-1-3-5-15;1-23(2,22)15-18-6-5-13(20-15)10-8-19-21(9-10)14-4-3-11(16)7-12(14)17;1-11-13(14-8-9-16-15(17-14)20-2)10-19(18-11)12-6-4-3-5-7-12;1-21-14-17-5-4-12(19-14)9-7-18-20(8-9)13-3-2-10(15)6-11(13)16/h2-14H,1H3,(H,21,22,23);6-12,15H,1-5H2,(H,22,24,25);3-9H,1H2,2H3;3-10H,1-2H3;2-8H,1H3.

What are the key properties of N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine?

N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine has a molecular weight of 1603.83 g/mol, XLogP of 17.74, 17 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclohexyl-4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-amine;4-[1-(2,4-difluorophenyl)pyrazol-4-yl]-2-methylsulfanylpyrimidine;[4-[1-(2,4-difluorophenyl)pyrazol-4-yl]pyrimidin-2-yl]-methyl-methylidene-oxo-λ6-sulfane;4-(3-methyl-1-phenylpyrazol-4-yl)-2-methylsulfanylpyrimidine;4-(3-methyl-1-phenylpyrazol-4-yl)-N-phenylpyrimidin-2-amine is sourced from PubChem (CID 123717511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).