9-benzyl-2-N-phenylpurine-2,6-diamine

C18H16N6 — CID 18332798

IUPAC9-benzyl-2-N-phenylpurine-2,6-diamine
SMILESNc1nc(Nc2ccccc2)nc2c1ncn2Cc1ccccc1
InChIInChI=1S/C18H16N6/c19-16-15-17(23-18(22-16)21-14-9-5-2-6-10-14)24(12-20-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,21,22,23)
InChIKeyBZCFXEFUMKKKML-UHFFFAOYSA-N
MW316.37 g/mol
LogP3.20
Rot. Bonds4

About 9-benzyl-2-N-phenylpurine-2,6-diamine

9-benzyl-2-N-phenylpurine-2,6-diamine (PubChem CID 18332798) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 9-benzyl-2-N-phenylpurine-2,6-diamine.

Molecular Properties

Compound Name9-benzyl-2-N-phenylpurine-2,6-diamine
PubChem CID18332798
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name9-benzyl-2-N-phenylpurine-2,6-diamine
SMILESNc1nc(Nc2ccccc2)nc2c1ncn2Cc1ccccc1
InChIInChI=1S/C18H16N6/c19-16-15-17(23-18(22-16)21-14-9-5-2-6-10-14)24(12-20-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,21,22,23)
InChIKeyBZCFXEFUMKKKML-UHFFFAOYSA-N
XLogP3.20
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-benzyl-2-N-phenylpurine-2,6-diamine?
The IUPAC name of 9-benzyl-2-N-phenylpurine-2,6-diamine (CID 18332798) is 9-benzyl-2-N-phenylpurine-2,6-diamine.
What is the SMILES notation for 9-benzyl-2-N-phenylpurine-2,6-diamine?
The canonical SMILES for 9-benzyl-2-N-phenylpurine-2,6-diamine is Nc1nc(Nc2ccccc2)nc2c1ncn2Cc1ccccc1.
What is the InChIKey of 9-benzyl-2-N-phenylpurine-2,6-diamine?
The InChIKey is BZCFXEFUMKKKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c19-16-15-17(23-18(22-16)21-14-9-5-2-6-10-14)24(12-20-15)11-13-7-3-1-4-8-13/h1-10,12H,11H2,(H3,19,21,22,23).
What are the key properties of 9-benzyl-2-N-phenylpurine-2,6-diamine?
9-benzyl-2-N-phenylpurine-2,6-diamine has a molecular weight of 316.37 g/mol, XLogP of 3.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-2-N-phenylpurine-2,6-diamine is sourced from PubChem (CID 18332798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).