6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine

C13H14N6 — CID 86271615

IUPAC6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
SMILESCc1ccccc1CNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C13H14N6/c1-8-4-2-3-5-9(8)6-15-11-10-12(17-7-16-10)19-13(14)18-11/h2-5,7H,6H2,1H3,(H4,14,15,16,17,18,19)
InChIKeyGLMDDDQJSMCBRP-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.86
Rot. Bonds3

About 6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine

6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine (PubChem CID 86271615) has the molecular formula C13H14N6 and a molecular weight of 254.30 g/mol. Its IUPAC name is 6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
PubChem CID86271615
Molecular FormulaC13H14N6
Molecular Weight254.30 g/mol
Exact Mass254.13
IUPAC Name6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine
SMILESCc1ccccc1CNc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C13H14N6/c1-8-4-2-3-5-9(8)6-15-11-10-12(17-7-16-10)19-13(14)18-11/h2-5,7H,6H2,1H3,(H4,14,15,16,17,18,19)
InChIKeyGLMDDDQJSMCBRP-UHFFFAOYSA-N
XLogP1.86
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine?
The IUPAC name of 6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine (CID 86271615) is 6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine is Cc1ccccc1CNc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine?
The InChIKey is GLMDDDQJSMCBRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6/c1-8-4-2-3-5-9(8)6-15-11-10-12(17-7-16-10)19-13(14)18-11/h2-5,7H,6H2,1H3,(H4,14,15,16,17,18,19).
What are the key properties of 6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine?
6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine has a molecular weight of 254.30 g/mol, XLogP of 1.86, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2-methylphenyl)methyl]-7H-purine-2,6-diamine is sourced from PubChem (CID 86271615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).