2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine

C24H19N5O — CID 117085593

IUPAC2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine
SMILESCOc1ccc(-c2nc(Nc3ccccc3)c3ncn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C24H19N5O/c1-30-20-14-12-17(13-15-20)22-27-23(26-18-8-4-2-5-9-18)21-24(28-22)29(16-25-21)19-10-6-3-7-11-19/h2-16H,1H3,(H,26,27,28)
InChIKeyAVPGHFDBBIYEKK-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.23
Rot. Bonds5

About 2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine

2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine (PubChem CID 117085593) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine
PubChem CID117085593
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine
SMILESCOc1ccc(-c2nc(Nc3ccccc3)c3ncn(-c4ccccc4)c3n2)cc1
InChIInChI=1S/C24H19N5O/c1-30-20-14-12-17(13-15-20)22-27-23(26-18-8-4-2-5-9-18)21-24(28-22)29(16-25-21)19-10-6-3-7-11-19/h2-16H,1H3,(H,26,27,28)
InChIKeyAVPGHFDBBIYEKK-UHFFFAOYSA-N
XLogP5.23
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(6-anilino-9-phenylpurin-2-yl)-N-cyclopropylbenzamide
CID 117083781
N-(4-morpholin-4-ylphenyl)-2,9-diphenylpurin-6-amine
CID 117081365
1-[2-[6-anilino-2-(4-methoxyphenyl)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117084319
[4-[6-[2-(4-methoxyphenyl)ethylamino]-9-phenylpurin-2-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 117091915
9-(4-fluorophenyl)-N-phenylpurin-6-amine
CID 102501130
6,7-dimethoxy-2-(4-methoxyphenyl)-N-phenylquinazolin-4-amine
CID 117088726
9-cyclohexyl-2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)purin-6-amine
CID 117093779
N-[2-(6-methoxy-3-pyridinyl)-9-phenylpurin-6-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117080808
4-[2-[[2-(4-methoxyphenyl)-9-thiophen-3-ylpurin-6-yl]amino]ethyl]phenol
CID 117084437
2-(6-methoxy-3-pyridinyl)-N-(4-phenoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117086588
4-[9-cyclohexyl-6-(4-phenoxyanilino)purin-2-yl]benzamide
CID 117093893
9-methyl-2-naphthalen-2-yl-N-pyridin-4-ylpurin-6-amine
CID 44535685

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine?
The IUPAC name of 2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine (CID 117085593) is 2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine.
What is the SMILES notation for 2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine?
The canonical SMILES for 2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine is COc1ccc(-c2nc(Nc3ccccc3)c3ncn(-c4ccccc4)c3n2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine?
The InChIKey is AVPGHFDBBIYEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-30-20-14-12-17(13-15-20)22-27-23(26-18-8-4-2-5-9-18)21-24(28-22)29(16-25-21)19-10-6-3-7-11-19/h2-16H,1H3,(H,26,27,28).
What are the key properties of 2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine?
2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine has a molecular weight of 393.45 g/mol, XLogP of 5.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N,9-diphenylpurin-6-amine is sourced from PubChem (CID 117085593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).