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

C51H43Cl2N17S — CID 158620944

IUPAC5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(Nc2ccc(Sc3ccncc3)cc2)c1Cl.Cc1nc(N)nc(Nc2ccc3c(ccn3-c3ccncc3)c2)c1Cl.Nc1nccc(Nc2ccc3c(ccn3-c3ccncc3)c2)n1
InChIInChI=1S/C18H15ClN6.C17H14N6.C16H14ClN5S/c1-11-16(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;1-10-14(17)15(22-16(18)20-10)21-11-2-4-12(5-3-11)23-13-6-8-19-9-7-13/h2-10H,1H3,(H3,20,22,23,24);1-11H,(H3,18,20,21,22);2-9H,1H3,(H3,18,20,21,22)
InChIKeyHXZDPJPQRGVIPJ-UHFFFAOYSA-N
MW997.00 g/mol
LogP11.55
Rot. Bonds10

About 5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-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;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine (PubChem CID 158620944) has the molecular formula C51H43Cl2N17S and a molecular weight of 997.00 g/mol. Its IUPAC name is 5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine
PubChem CID158620944
Molecular FormulaC51H43Cl2N17S
Molecular Weight997.00 g/mol
Exact Mass995.30
IUPAC Name5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine
SMILESCc1nc(N)nc(Nc2ccc(Sc3ccncc3)cc2)c1Cl.Cc1nc(N)nc(Nc2ccc3c(ccn3-c3ccncc3)c2)c1Cl.Nc1nccc(Nc2ccc3c(ccn3-c3ccncc3)c2)n1
InChIInChI=1S/C18H15ClN6.C17H14N6.C16H14ClN5S/c1-11-16(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;1-10-14(17)15(22-16(18)20-10)21-11-2-4-12(5-3-11)23-13-6-8-19-9-7-13/h2-10H,1H3,(H3,20,22,23,24);1-11H,(H3,18,20,21,22);2-9H,1H3,(H3,18,20,21,22)
InChIKeyHXZDPJPQRGVIPJ-UHFFFAOYSA-N
XLogP11.55
TPSA240.02 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds10
Heavy Atoms71
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500997.00
LogP ≤ 511.55
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

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

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Related Compounds

10-[9-[2-[3,5-Bis[4-(3-phenothiazin-10-ylcarbazol-9-yl)pyrimidin-2-yl]phenyl]pyrimidin-4-yl]carbazol-3-yl]phenothiazine
CID 153482889
5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)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-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine
CID 157144069
6-(5-chlorothiophen-2-yl)-2-(2-fluorophenyl)-4-pyrrolo[3,2-c]pyridin-1-ylquinazoline;2-(2-fluorophenyl)-N-methyl-4-pyrrolo[3,2-c]pyridin-1-ylquinazolin-6-amine
CID 158050767
aniline;N-(2-chloropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloropyrimidine;N,N-diethylethanamine;2-methyl-1H-indol-5-amine;4-N-(2-methyl-1H-indol-5-yl)-2-N-phenylpyrimidine-2,4-diamine
CID 158510029
6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine
CID 158611749
6-chloro-N-[3-(indol-1-ylmethyl)phenyl]pyrimidin-4-amine;4,6-dichloropyrimidine;3-(indol-1-ylmethyl)aniline
CID 158613377
5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)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-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine
CID 158624373
aniline;N-(2-benzylpyrimidin-4-yl)-2-methyl-1H-indol-5-amine;N-(2-chloropyrimidin-4-yl)-2-methyl-1H-indol-5-amine;2,4-dichloropyrimidine;N,N-diethylethanamine;2-methyl-1H-indol-5-amine
CID 158673278
6-ethyl-4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;methane;4-N-(1-pyridin-4-ylindol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine
CID 158716958
2-benzyl-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6-methylpyrimidin-4-amine;6-tert-butyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;6-ethyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(3-fluoro-4-pyridin-4-ylsulfanylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine;4-N-(4-pyridin-4-ylsulfanylphenyl)-5,6,7,8-tetrahydroquinazoline-2,4-diamine
CID 158948908
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
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

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;5-chloro-6-methyl-4-N-(4-pyridin-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;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine (CID 158620944) is 5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-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;5-chloro-6-methyl-4-N-(4-pyridin-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;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine is Cc1nc(N)nc(Nc2ccc(Sc3ccncc3)cc2)c1Cl.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;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine?
The InChIKey is HXZDPJPQRGVIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN6.C17H14N6.C16H14ClN5S/c1-11-16(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;1-10-14(17)15(22-16(18)20-10)21-11-2-4-12(5-3-11)23-13-6-8-19-9-7-13/h2-10H,1H3,(H3,20,22,23,24);1-11H,(H3,18,20,21,22);2-9H,1H3,(H3,18,20,21,22).
What are the key properties of 5-chloro-6-methyl-4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine;5-chloro-6-methyl-4-N-(4-pyridin-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;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine has a molecular weight of 997.00 g/mol, XLogP of 11.55, 10 rotatable bonds, 6 hydrogen bond donors, and 18 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;5-chloro-6-methyl-4-N-(4-pyridin-4-ylsulfanylphenyl)pyrimidine-2,4-diamine;4-N-(1-pyridin-4-ylindol-5-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 158620944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).