6-methyl-1,3,4,7-tetrahydropurin-2-one

C6H8N4O — CID 56613505

IUPAC6-methyl-1,3,4,7-tetrahydropurin-2-one
SMILESCC1=C2NC=NC2NC(=O)N1
InChIInChI=1S/C6H8N4O/c1-3-4-5(8-2-7-4)10-6(11)9-3/h2,5H,1H3,(H,7,8)(H2,9,10,11)
InChIKeyMOKNPJUUCJIPGF-UHFFFAOYSA-N
MW152.16 g/mol
LogP-0.51
Rot. Bonds

About 6-methyl-1,3,4,7-tetrahydropurin-2-one

6-methyl-1,3,4,7-tetrahydropurin-2-one (PubChem CID 56613505) has the molecular formula C6H8N4O and a molecular weight of 152.16 g/mol. Its IUPAC name is 6-methyl-1,3,4,7-tetrahydropurin-2-one.

Molecular Properties

Compound Name6-methyl-1,3,4,7-tetrahydropurin-2-one
PubChem CID56613505
Molecular FormulaC6H8N4O
Molecular Weight152.16 g/mol
Exact Mass152.07
IUPAC Name6-methyl-1,3,4,7-tetrahydropurin-2-one
SMILESCC1=C2NC=NC2NC(=O)N1
InChIInChI=1S/C6H8N4O/c1-3-4-5(8-2-7-4)10-6(11)9-3/h2,5H,1H3,(H,7,8)(H2,9,10,11)
InChIKeyMOKNPJUUCJIPGF-UHFFFAOYSA-N
XLogP-0.51
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 6-methyl-1,3,4,7-tetrahydropurin-2-one 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 6-methyl-1,3,4,7-tetrahydropurin-2-one?
The IUPAC name of 6-methyl-1,3,4,7-tetrahydropurin-2-one (CID 56613505) is 6-methyl-1,3,4,7-tetrahydropurin-2-one.
What is the SMILES notation for 6-methyl-1,3,4,7-tetrahydropurin-2-one?
The canonical SMILES for 6-methyl-1,3,4,7-tetrahydropurin-2-one is CC1=C2NC=NC2NC(=O)N1.
What is the InChIKey of 6-methyl-1,3,4,7-tetrahydropurin-2-one?
The InChIKey is MOKNPJUUCJIPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4O/c1-3-4-5(8-2-7-4)10-6(11)9-3/h2,5H,1H3,(H,7,8)(H2,9,10,11).
What are the key properties of 6-methyl-1,3,4,7-tetrahydropurin-2-one?
6-methyl-1,3,4,7-tetrahydropurin-2-one has a molecular weight of 152.16 g/mol, XLogP of -0.51, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,3,4,7-tetrahydropurin-2-one is sourced from PubChem (CID 56613505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).