4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

C90H79ClFN27S3 — CID 159315986

About 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine

4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (PubChem CID 159315986) has the molecular formula C90H79ClFN27S3 and a molecular weight of 1689.46 g/mol. Its IUPAC name is 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
• PubChem CID: 159315986
• Molecular Formula: C90H79ClFN27S3
• Molecular Weight: 1689.46 g/mol
• Exact Mass: 1687.58
• IUPAC Name: 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
• SMILES: Cc1cc(Nc2ccc(Sc3ccncc3)c(Cl)c2)nc(N)n1.Cc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1.Cc1cc(Nc2ccc(Sc3ccncc3)cc2)nc(N)n1.Cc1cc(Nc2ccc3c(ccn3-c3ccncc3)c2)nc(N)n1.Cc1cc(Nc2ccc3c(ccn3-c3ccncc3)c2)nc(Nc2ccccc2)n1
• InChI: InChI=1S/C24H20N6.C18H16N6.C16H14ClN5S.C16H14FN5S.C16H15N5S/c1-17-15-23(29-24(26-17)28-19-5-3-2-4-6-19)27-20-7-8-22-18(16-20)11-14-30(22)21-9-12-25-13-10-21;1-12-10-17(23-18(19)21-12)22-14-2-3-16-13(11-14)6-9-24(16)15-4-7-20-8-5-15;2*1-10-8-15(22-16(18)20-10)21-11-2-3-14(13(17)9-11)23-12-4-6-19-7-5-12;1-11-10-15(21-16(17)19-11)20-12-2-4-13(5-3-12)22-14-6-8-18-9-7-14/h2-16H,1H3,(H2,26,27,28,29);2-11H,1H3,(H3,19,21,22,23);2*2-9H,1H3,(H3,18,20,21,22);2-10H,1H3,(H3,17,19,20,21)
• InChIKey: LDDHFDQEJMKYBH-UHFFFAOYSA-N
• XLogP: 20.82
• TPSA: 379.47 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 20
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1689.46
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?

The IUPAC name of 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine (CID 159315986) is 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine.

What is the SMILES notation for 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?

The canonical SMILES for 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is Cc1cc(Nc2ccc(Sc3ccncc3)c(Cl)c2)nc(N)n1.Cc1cc(Nc2ccc(Sc3ccncc3)c(F)c2)nc(N)n1.Cc1cc(Nc2ccc(Sc3ccncc3)cc2)nc(N)n1.Cc1cc(Nc2ccc3c(ccn3-c3ccncc3)c2)nc(N)n1.Cc1cc(Nc2ccc3c(ccn3-c3ccncc3)c2)nc(Nc2ccccc2)n1.

What is the InChIKey of 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?

The InChIKey is LDDHFDQEJMKYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6.C18H16N6.C16H14ClN5S.C16H14FN5S.C16H15N5S/c1-17-15-23(29-24(26-17)28-19-5-3-2-4-6-19)27-20-7-8-22-18(16-20)11-14-30(22)21-9-12-25-13-10-21;1-12-10-17(23-18(19)21-12)22-14-2-3-16-13(11-14)6-9-24(16)15-4-7-20-8-5-15;2*1-10-8-15(22-16(18)20-10)21-11-2-3-14(13(17)9-11)23-12-4-6-19-7-5-12;1-11-10-15(21-16(17)19-11)20-12-2-4-13(5-3-12)22-14-6-8-18-9-7-14/h2-16H,1H3,(H2,26,27,28,29);2-11H,1H3,(H3,19,21,22,23);2*2-9H,1H3,(H3,18,20,21,22);2-10H,1H3,(H3,17,19,20,21).

What are the key properties of 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine?

4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine has a molecular weight of 1689.46 g/mol, XLogP of 20.82, 20 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(3-chloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-2-N-phenyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 159315986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).