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

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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).