5-chloro-6-methyl-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;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine

C90H77Cl3N28S2 — CID 158988965

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

5-chloro-6-methyl-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;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 158988965) has the molecular formula C90H77Cl3N28S2 and a molecular weight of 1721.29 g/mol. Its IUPAC name is 5-chloro-6-methyl-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;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: 5-chloro-6-methyl-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;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: 158988965
• Molecular Formula: C90H77Cl3N28S2
• Molecular Weight: 1721.29 g/mol
• Exact Mass: 1718.54
• IUPAC Name: 5-chloro-6-methyl-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;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(Sc3ccnc4ccccc34)cc2)nc(N)n1.Cc1nc(N)nc(Nc2ccc3c(ccn3-c3ccncc3)c2)c1Cl.Nc1nccc(Nc2ccc3c(ccn3-c3ccncc3)c2)n1
• InChI: InChI=1S/C20H17N5S.C19H18N6.C18H15ClN6.C17H14N6.C16H13Cl2N5S/c1-13-12-19(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;1-11-16(19)17(24-18(20)22-11)23-13-2-3-15-12(10-13)6-9-25(15)14-4-7-21-8-5-14;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/h2-12H,1H3,(H3,21,23,24,25);3-12H,2H2,1H3,(H3,20,22,23,24);2-10H,1H3,(H3,20,22,23,24);1-11H,(H3,18,20,21,22);2-8H,1H3,(H3,19,21,22,23)
• InChIKey: JPXSHLFQHLPFAD-UHFFFAOYSA-N
• XLogP: 20.72
• TPSA: 398.39 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 30
• Rotatable Bonds: 18
• Heavy Atoms: 123
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1721.29
LogP ≤ 5	20.72
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	30

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-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;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 5-chloro-6-methyl-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;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 158988965) is 5-chloro-6-methyl-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;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 5-chloro-6-methyl-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;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 5-chloro-6-methyl-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;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(Sc3ccnc4ccccc34)cc2)nc(N)n1.Cc1nc(N)nc(Nc2ccc3c(ccn3-c3ccncc3)c2)c1Cl.Nc1nccc(Nc2ccc3c(ccn3-c3ccncc3)c2)n1.

What is the InChIKey of 5-chloro-6-methyl-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;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 JPXSHLFQHLPFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5S.C19H18N6.C18H15ClN6.C17H14N6.C16H13Cl2N5S/c1-13-12-19(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;1-11-16(19)17(24-18(20)22-11)23-13-2-3-15-12(10-13)6-9-25(15)14-4-7-21-8-5-14;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/h2-12H,1H3,(H3,21,23,24,25);3-12H,2H2,1H3,(H3,20,22,23,24);2-10H,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 5-chloro-6-methyl-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;6-methyl-4-N-(4-quinolin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine?

5-chloro-6-methyl-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;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 1721.29 g/mol, XLogP of 20.72, 18 rotatable bonds, 10 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-methyl-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;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 158988965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).