3-methyl-2,7-dihydropurine

C6H8N4 — CID 141439456

IUPAC3-methyl-2,7-dihydropurine
SMILESCN1CN=Cc2[nH]cnc21
InChIInChI=1S/C6H8N4/c1-10-4-7-2-5-6(10)9-3-8-5/h2-3H,4H2,1H3,(H,8,9)
InChIKeyGYXOKPQVOGOSKM-UHFFFAOYSA-N
MW136.16 g/mol
LogP0.24
Rot. Bonds

About 3-methyl-2,7-dihydropurine

3-methyl-2,7-dihydropurine (PubChem CID 141439456) has the molecular formula C6H8N4 and a molecular weight of 136.16 g/mol. Its IUPAC name is 3-methyl-2,7-dihydropurine.

Molecular Properties

Compound Name3-methyl-2,7-dihydropurine
PubChem CID141439456
Molecular FormulaC6H8N4
Molecular Weight136.16 g/mol
Exact Mass136.07
IUPAC Name3-methyl-2,7-dihydropurine
SMILESCN1CN=Cc2[nH]cnc21
InChIInChI=1S/C6H8N4/c1-10-4-7-2-5-6(10)9-3-8-5/h2-3H,4H2,1H3,(H,8,9)
InChIKeyGYXOKPQVOGOSKM-UHFFFAOYSA-N
XLogP0.24
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.16
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-2,7-dihydropurine 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 3-methyl-2,7-dihydropurine?
The IUPAC name of 3-methyl-2,7-dihydropurine (CID 141439456) is 3-methyl-2,7-dihydropurine.
What is the SMILES notation for 3-methyl-2,7-dihydropurine?
The canonical SMILES for 3-methyl-2,7-dihydropurine is CN1CN=Cc2[nH]cnc21.
What is the InChIKey of 3-methyl-2,7-dihydropurine?
The InChIKey is GYXOKPQVOGOSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4/c1-10-4-7-2-5-6(10)9-3-8-5/h2-3H,4H2,1H3,(H,8,9).
What are the key properties of 3-methyl-2,7-dihydropurine?
3-methyl-2,7-dihydropurine has a molecular weight of 136.16 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,7-dihydropurine is sourced from PubChem (CID 141439456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).