2-methyl-4,7,8,9-tetrahydro-1H-purine

C6H10N4 — CID 67427435

IUPAC2-methyl-4,7,8,9-tetrahydro-1H-purine
SMILESCC1=NC2NCNC2=CN1
InChIInChI=1S/C6H10N4/c1-4-7-2-5-6(10-4)9-3-8-5/h2,6,8-9H,3H2,1H3,(H,7,10)
InChIKeyUACVXUFLABJCHX-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.67
Rot. Bonds

About 2-methyl-4,7,8,9-tetrahydro-1H-purine

2-methyl-4,7,8,9-tetrahydro-1H-purine (PubChem CID 67427435) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 2-methyl-4,7,8,9-tetrahydro-1H-purine.

Molecular Properties

Compound Name2-methyl-4,7,8,9-tetrahydro-1H-purine
PubChem CID67427435
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name2-methyl-4,7,8,9-tetrahydro-1H-purine
SMILESCC1=NC2NCNC2=CN1
InChIInChI=1S/C6H10N4/c1-4-7-2-5-6(10-4)9-3-8-5/h2,6,8-9H,3H2,1H3,(H,7,10)
InChIKeyUACVXUFLABJCHX-UHFFFAOYSA-N
XLogP-0.67
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4,7,8,9-tetrahydro-1H-purine 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 2-methyl-4,7,8,9-tetrahydro-1H-purine?
The IUPAC name of 2-methyl-4,7,8,9-tetrahydro-1H-purine (CID 67427435) is 2-methyl-4,7,8,9-tetrahydro-1H-purine.
What is the SMILES notation for 2-methyl-4,7,8,9-tetrahydro-1H-purine?
The canonical SMILES for 2-methyl-4,7,8,9-tetrahydro-1H-purine is CC1=NC2NCNC2=CN1.
What is the InChIKey of 2-methyl-4,7,8,9-tetrahydro-1H-purine?
The InChIKey is UACVXUFLABJCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c1-4-7-2-5-6(10-4)9-3-8-5/h2,6,8-9H,3H2,1H3,(H,7,10).
What are the key properties of 2-methyl-4,7,8,9-tetrahydro-1H-purine?
2-methyl-4,7,8,9-tetrahydro-1H-purine has a molecular weight of 138.17 g/mol, XLogP of -0.67, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,7,8,9-tetrahydro-1H-purine is sourced from PubChem (CID 67427435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).