6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine

C12H12N6 — CID 13199460

IUPAC6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine
SMILESCNc1ncnc2nc(Nc3ccccc3)[nH]c12
InChIInChI=1S/C12H12N6/c1-13-10-9-11(15-7-14-10)18-12(17-9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H3,13,14,15,16,17,18)
InChIKeyVTCRGXBZXAJTGH-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.14
Rot. Bonds3

About 6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine

6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine (PubChem CID 13199460) has the molecular formula C12H12N6 and a molecular weight of 240.27 g/mol. Its IUPAC name is 6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine.

Molecular Properties

Compound Name6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine
PubChem CID13199460
Molecular FormulaC12H12N6
Molecular Weight240.27 g/mol
Exact Mass240.11
IUPAC Name6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine
SMILESCNc1ncnc2nc(Nc3ccccc3)[nH]c12
InChIInChI=1S/C12H12N6/c1-13-10-9-11(15-7-14-10)18-12(17-9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H3,13,14,15,16,17,18)
InChIKeyVTCRGXBZXAJTGH-UHFFFAOYSA-N
XLogP2.14
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-N-[2-(trifluoromethyl)phenyl]-6-N-[4-(trifluoromethyl)phenyl]-7H-purine-6,8-diamine
CID 42642441
6-N-(4-phenoxyphenyl)-8-N-pyridin-2-yl-7H-purine-6,8-diamine
CID 117092787
1-[3-[(8-anilino-7H-purin-6-yl)amino]propyl]pyrrolidin-2-one
CID 117091724
8-ethyl-N-methyl-7H-purin-6-amine
CID 126993799
N-[4-[[8-[3-(dimethylamino)anilino]-7H-purin-6-yl]amino]phenyl]acetamide
CID 117088567
6-N-benzyl-8-N-quinolin-6-yl-7H-purine-6,8-diamine
CID 117087853
6,7-dimethyl-N-phenylpyrido[2,3-d]pyrimidin-4-amine;ethane
CID 90952927
8-(6-methoxy-3-pyridinyl)-N-phenyl-7H-purin-6-amine
CID 117094362
8-N-[3-(dimethylamino)phenyl]-6-N-[2-[di(propan-2-yl)amino]ethyl]-7H-purine-6,8-diamine
CID 117091695
6-N-cyclopropyl-8-N-(4-morpholin-4-ylphenyl)-7H-purine-6,8-diamine
CID 117092148
6-N-(1H-benzimidazol-2-ylmethyl)-8-N-(4-imidazol-1-ylphenyl)-7H-purine-6,8-diamine
CID 117093902
3-(6-anilino-7H-purin-8-yl)benzonitrile
CID 46894038

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine?
The IUPAC name of 6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine (CID 13199460) is 6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine.
What is the SMILES notation for 6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine?
The canonical SMILES for 6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine is CNc1ncnc2nc(Nc3ccccc3)[nH]c12.
What is the InChIKey of 6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine?
The InChIKey is VTCRGXBZXAJTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6/c1-13-10-9-11(15-7-14-10)18-12(17-9)16-8-5-3-2-4-6-8/h2-7H,1H3,(H3,13,14,15,16,17,18).
What are the key properties of 6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine?
6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine has a molecular weight of 240.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-8-N-phenyl-7H-purine-6,8-diamine is sourced from PubChem (CID 13199460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).