9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine

C15H16N6 — CID 167978863

IUPAC9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine
SMILESNc1nc(N)c2ncn(Cc3ccccc3C3CC3)c2n1
InChIInChI=1S/C15H16N6/c16-13-12-14(20-15(17)19-13)21(8-18-12)7-10-3-1-2-4-11(10)9-5-6-9/h1-4,8-9H,5-7H2,(H4,16,17,19,20)
InChIKeyAVTVZYRFEXPORC-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.92
Rot. Bonds3

About 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine

9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine (PubChem CID 167978863) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine.

Molecular Properties

Compound Name9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine
PubChem CID167978863
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine
SMILESNc1nc(N)c2ncn(Cc3ccccc3C3CC3)c2n1
InChIInChI=1S/C15H16N6/c16-13-12-14(20-15(17)19-13)21(8-18-12)7-10-3-1-2-4-11(10)9-5-6-9/h1-4,8-9H,5-7H2,(H4,16,17,19,20)
InChIKeyAVTVZYRFEXPORC-UHFFFAOYSA-N
XLogP1.92
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine?
The IUPAC name of 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine (CID 167978863) is 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine.
What is the SMILES notation for 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine?
The canonical SMILES for 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine is Nc1nc(N)c2ncn(Cc3ccccc3C3CC3)c2n1.
What is the InChIKey of 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine?
The InChIKey is AVTVZYRFEXPORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-13-12-14(20-15(17)19-13)21(8-18-12)7-10-3-1-2-4-11(10)9-5-6-9/h1-4,8-9H,5-7H2,(H4,16,17,19,20).
What are the key properties of 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine?
9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine has a molecular weight of 280.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine is sourced from PubChem (CID 167978863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).