4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine

C92H78Cl2FN27OS2 — CID 157365163

About 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine

4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine (PubChem CID 157365163) has the molecular formula C92H78Cl2FN27OS2 and a molecular weight of 1731.86 g/mol. Its IUPAC name is 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

• Compound Name: 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine
• PubChem CID: 157365163
• Molecular Formula: C92H78Cl2FN27OS2
• Molecular Weight: 1731.86 g/mol
• Exact Mass: 1729.57
• IUPAC Name: 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine
• SMILES: CCc1cc(Nc2ccc3c(ccn3-c3ccncc3)c2)nc(N)n1.Cc1cc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)nc(N)n1.Cc1cc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)nc(N)n1.Cc1cc(Nc2ccc(Sc3ccnc4ccccc34)cc2)nc(N)n1.Nc1nccc(Nc2ccc3c(ccn3-c3ccncc3)c2)n1
• InChI: InChI=1S/C20H16FN5O.C20H17N5S.C19H18N6.C17H14N6.C16H13Cl2N5S/c1-12-9-19(26-20(22)24-12)25-14-5-6-18(16(21)10-14)27-17-4-2-3-13-11-23-8-7-15(13)17;1-13-12-19(25-20(21)23-13)24-14-6-8-15(9-7-14)26-18-10-11-22-17-5-3-2-4-16(17)18;1-2-14-12-18(24-19(20)23-14)22-15-3-4-17-13(11-15)7-10-25(17)16-5-8-21-9-6-16;18-17-20-9-5-16(22-17)21-13-1-2-15-12(11-13)6-10-23(15)14-3-7-19-8-4-14;1-9-6-14(23-16(19)21-9)22-10-7-12(17)15(13(18)8-10)24-11-2-4-20-5-3-11/h2-11H,1H3,(H3,22,24,25,26);2-12H,1H3,(H3,21,23,24,25);3-12H,2H2,1H3,(H3,20,22,23,24);1-11H,(H3,18,20,21,22);2-8H,1H3,(H3,19,21,22,23)
• InChIKey: BJCBLTMQJNEWHD-UHFFFAOYSA-N
• XLogP: 21.21
• TPSA: 402.69 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 19
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1731.86
LogP ≤ 5	21.21
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

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

The IUPAC name of 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine (CID 157365163) is 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine.

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

The canonical SMILES for 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine is CCc1cc(Nc2ccc3c(ccn3-c3ccncc3)c2)nc(N)n1.Cc1cc(Nc2cc(Cl)c(Sc3ccncc3)c(Cl)c2)nc(N)n1.Cc1cc(Nc2ccc(Oc3cccc4cnccc34)c(F)c2)nc(N)n1.Cc1cc(Nc2ccc(Sc3ccnc4ccccc34)cc2)nc(N)n1.Nc1nccc(Nc2ccc3c(ccn3-c3ccncc3)c2)n1.

What is the InChIKey of 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine?

The InChIKey is BJCBLTMQJNEWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O.C20H17N5S.C19H18N6.C17H14N6.C16H13Cl2N5S/c1-12-9-19(26-20(22)24-12)25-14-5-6-18(16(21)10-14)27-17-4-2-3-13-11-23-8-7-15(13)17;1-13-12-19(25-20(21)23-13)24-14-6-8-15(9-7-14)26-18-10-11-22-17-5-3-2-4-16(17)18;1-2-14-12-18(24-19(20)23-14)22-15-3-4-17-13(11-15)7-10-25(17)16-5-8-21-9-6-16;18-17-20-9-5-16(22-17)21-13-1-2-15-12(11-13)6-10-23(15)14-3-7-19-8-4-14;1-9-6-14(23-16(19)21-9)22-10-7-12(17)15(13(18)8-10)24-11-2-4-20-5-3-11/h2-11H,1H3,(H3,22,24,25,26);2-12H,1H3,(H3,21,23,24,25);3-12H,2H2,1H3,(H3,20,22,23,24);1-11H,(H3,18,20,21,22);2-8H,1H3,(H3,19,21,22,23).

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

4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 1731.86 g/mol, XLogP of 21.21, 19 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 4-N-(3,5-dichloro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidine-2,4-diamine;6-ethyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-isoquinolin-5-yloxyphenyl)-6-methylpyrimidine-2,4-diamine;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 157365163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).