4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

C23H24N6O2 — CID 142735039

IUPAC4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3ccc4[nH]ccc4c3)n2)cc1N1CCOCC1
InChIInChI=1S/C23H24N6O2/c1-30-21-5-3-18(15-20(21)29-10-12-31-13-11-29)27-23-25-9-7-22(28-23)26-17-2-4-19-16(14-17)6-8-24-19/h2-9,14-15,24H,10-13H2,1H3,(H2,25,26,27,28)
InChIKeyJWIWWWVFDQTHJH-UHFFFAOYSA-N
MW416.49 g/mol
LogP4.29
Rot. Bonds6

About 4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine

4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (PubChem CID 142735039) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is 4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
PubChem CID142735039
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC Name4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
SMILESCOc1ccc(Nc2nccc(Nc3ccc4[nH]ccc4c3)n2)cc1N1CCOCC1
InChIInChI=1S/C23H24N6O2/c1-30-21-5-3-18(15-20(21)29-10-12-31-13-11-29)27-23-25-9-7-22(28-23)26-17-2-4-19-16(14-17)6-8-24-19/h2-9,14-15,24H,10-13H2,1H3,(H2,25,26,27,28)
InChIKeyJWIWWWVFDQTHJH-UHFFFAOYSA-N
XLogP4.29
TPSA87.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine with MolForge

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Related Compounds

4-(1H-indol-5-yl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 46882411
2-N-(3-methoxyphenyl)-4-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904687
4-N-(3,4-dimethylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112902564
2-N-[3-[2-(dimethylamino)ethoxy]-4-morpholin-4-ylphenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine;2-N-[3-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-quinolin-3-ylpyrimidine-2,4-diamine
CID 176696808
N-(2-chloropyrimidin-4-yl)-1H-indol-5-amine
CID 88557543
4-N-(3-chloro-4-methylphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904072
4-N-(6-bromoquinolin-3-yl)-2-N-[3-methoxy-4-(3-morpholin-4-ylpropoxy)phenyl]pyrimidine-2,4-diamine
CID 176734416
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640
4-N-(4-ethoxyphenyl)-2-N-(2-morpholin-4-ylphenyl)pyrimidine-2,4-diamine
CID 112904936
2-N-(3,4-dimethoxyphenyl)-4-N-quinolin-6-ylpyrimidine-2,4-diamine
CID 10133924
4-(5-fluoro-2-methoxyphenyl)-N-(3-methoxy-4-morpholin-4-ylphenyl)pyridin-2-amine
CID 71540732
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine
CID 45493316

Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine (CID 142735039) is 4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is COc1ccc(Nc2nccc(Nc3ccc4[nH]ccc4c3)n2)cc1N1CCOCC1.
What is the InChIKey of 4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
The InChIKey is JWIWWWVFDQTHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-30-21-5-3-18(15-20(21)29-10-12-31-13-11-29)27-23-25-9-7-22(28-23)26-17-2-4-19-16(14-17)6-8-24-19/h2-9,14-15,24H,10-13H2,1H3,(H2,25,26,27,28).
What are the key properties of 4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine?
4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine has a molecular weight of 416.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-indol-5-yl)-2-N-(4-methoxy-3-morpholin-4-ylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 142735039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).