4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine

C24H24N6 — CID 66551304

IUPAC4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1ccc2[nH]cc(CCNc3nccc(Nc4ccc5[nH]c(C)cc5c4)n3)c2c1
InChIInChI=1S/C24H24N6/c1-15-3-5-22-20(11-15)17(14-27-22)7-9-25-24-26-10-8-23(30-24)29-19-4-6-21-18(13-19)12-16(2)28-21/h3-6,8,10-14,27-28H,7,9H2,1-2H3,(H2,25,26,29,30)
InChIKeyRLZCZUKXGKKYJE-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.45
Rot. Bonds6

About 4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine

4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 66551304) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID66551304
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
SMILESCc1ccc2[nH]cc(CCNc3nccc(Nc4ccc5[nH]c(C)cc5c4)n3)c2c1
InChIInChI=1S/C24H24N6/c1-15-3-5-22-20(11-15)17(14-27-22)7-9-25-24-26-10-8-23(30-24)29-19-4-6-21-18(13-19)12-16(2)28-21/h3-6,8,10-14,27-28H,7,9H2,1-2H3,(H2,25,26,29,30)
InChIKeyRLZCZUKXGKKYJE-UHFFFAOYSA-N
XLogP5.45
TPSA81.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-propan-2-yloxy-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 66548919
2-N-(3,5-dimethylphenyl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25104267
2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-(2-methyl-1H-indol-4-yl)pyrimidine-2,4-diamine
CID 66549488
2-N-(1H-indol-4-yl)-4-N-(2-methyl-1H-indol-5-yl)pyrimidine-2,4-diamine
CID 25103278
4-[[2-[2-(1H-indol-3-yl)ethylamino]pyrimidin-4-yl]amino]benzonitrile
CID 112896849
2-N-(2,5-dimethylphenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896700
methyl 2-[4-[[4-[(2-methyl-1H-indol-5-yl)amino]pyrimidin-2-yl]amino]phenyl]acetate
CID 25104262
2-N-(3,4-dichlorophenyl)-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112896754
2-N-butyl-4-N-[2-(1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 112883035
2-N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 139972357
2-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-N-[(2-methyl-3H-benzimidazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 123378787
4-N-[2-(1H-indol-3-yl)ethyl]-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112896684

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine (CID 66551304) is 4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine is Cc1ccc2[nH]cc(CCNc3nccc(Nc4ccc5[nH]c(C)cc5c4)n3)c2c1.
What is the InChIKey of 4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is RLZCZUKXGKKYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-15-3-5-22-20(11-15)17(14-27-22)7-9-25-24-26-10-8-23(30-24)29-19-4-6-21-18(13-19)12-16(2)28-21/h3-6,8,10-14,27-28H,7,9H2,1-2H3,(H2,25,26,29,30).
What are the key properties of 4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine?
4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 396.50 g/mol, XLogP of 5.45, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyl-1H-indol-5-yl)-2-N-[2-(5-methyl-1H-indol-3-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 66551304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).