9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine

C20H15N7 — CID 117093201

IUPAC9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
SMILESNc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C20H15N7/c21-18-17-19(27(12-23-17)15-6-2-1-3-7-15)26-20(25-18)24-14-8-9-16-13(11-14)5-4-10-22-16/h1-12H,(H3,21,24,25,26)
InChIKeySRVNUINYAAKHJR-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.69
Rot. Bonds3

About 9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine

9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine (PubChem CID 117093201) has the molecular formula C20H15N7 and a molecular weight of 353.39 g/mol. Its IUPAC name is 9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine.

Molecular Properties

Compound Name9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
PubChem CID117093201
Molecular FormulaC20H15N7
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
SMILESNc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2-c1ccccc1
InChIInChI=1S/C20H15N7/c21-18-17-19(27(12-23-17)15-6-2-1-3-7-15)26-20(25-18)24-14-8-9-16-13(11-14)5-4-10-22-16/h1-12H,(H3,21,24,25,26)
InChIKeySRVNUINYAAKHJR-UHFFFAOYSA-N
XLogP3.69
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-N-cyclopropyl-9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine
CID 117080182
9-phenyl-2-N-quinolin-6-yl-6-N-(3,4,5-trimethoxyphenyl)purine-2,6-diamine
CID 117080400
9-phenyl-2-N-quinolin-6-yl-6-N-[[3-(trifluoromethyl)phenyl]methyl]purine-2,6-diamine
CID 117086378
1-[2-[6-amino-2-(quinolin-6-ylamino)purin-9-yl]ethyl]pyrrolidin-2-one
CID 117086924
N-(4,6-dihydrazinylpyrimidin-2-yl)quinolin-6-amine
CID 139976319
2-N-quinolin-6-yl-7H-purine-2,6-diamine
CID 117084904
2-N-quinolin-6-ylpyridine-2,3-diamine
CID 62634591
9-phenylpurine-2,6-diamine;dihydrochloride
CID 141031122
6-N-quinolin-6-ylpyridine-2,3,6-triamine
CID 79826455
9-(3-aminophenyl)-2-N-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]purine-2,6-diamine
CID 118420828
9-benzyl-2-N-phenylpurine-2,6-diamine
CID 18332798
6-N-cyclopropyl-9-phenyl-2-N-pyrimidin-2-ylpurine-2,6-diamine
CID 117078892

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine?
The IUPAC name of 9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine (CID 117093201) is 9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine.
What is the SMILES notation for 9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine?
The canonical SMILES for 9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine is Nc1nc(Nc2ccc3ncccc3c2)nc2c1ncn2-c1ccccc1.
What is the InChIKey of 9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine?
The InChIKey is SRVNUINYAAKHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7/c21-18-17-19(27(12-23-17)15-6-2-1-3-7-15)26-20(25-18)24-14-8-9-16-13(11-14)5-4-10-22-16/h1-12H,(H3,21,24,25,26).
What are the key properties of 9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine?
9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine has a molecular weight of 353.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-phenyl-2-N-quinolin-6-ylpurine-2,6-diamine is sourced from PubChem (CID 117093201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).