6,7-dimethyl-3H-pteridin-4-one

C8H8N4O — CID 135422471

IUPAC6,7-dimethyl-3H-pteridin-4-one
SMILESCc1nc2nc[nH]c(=O)c2nc1C
InChIInChI=1S/C8H8N4O/c1-4-5(2)12-7-6(11-4)8(13)10-3-9-7/h3H,1-2H3,(H,9,10,12,13)
InChIKeyYZZHLQUXFAOLAA-UHFFFAOYSA-N
MW176.18 g/mol
LogP0.33
Rot. Bonds

About 6,7-dimethyl-3H-pteridin-4-one

6,7-dimethyl-3H-pteridin-4-one (PubChem CID 135422471) has the molecular formula C8H8N4O and a molecular weight of 176.18 g/mol. Its IUPAC name is 6,7-dimethyl-3H-pteridin-4-one.

Molecular Properties

Compound Name6,7-dimethyl-3H-pteridin-4-one
PubChem CID135422471
Molecular FormulaC8H8N4O
Molecular Weight176.18 g/mol
Exact Mass176.07
IUPAC Name6,7-dimethyl-3H-pteridin-4-one
SMILESCc1nc2nc[nH]c(=O)c2nc1C
InChIInChI=1S/C8H8N4O/c1-4-5(2)12-7-6(11-4)8(13)10-3-9-7/h3H,1-2H3,(H,9,10,12,13)
InChIKeyYZZHLQUXFAOLAA-UHFFFAOYSA-N
XLogP0.33
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.18
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,7-dimethyl-3H-pteridin-4-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 6,7-dimethyl-3H-pteridin-4-one?
The IUPAC name of 6,7-dimethyl-3H-pteridin-4-one (CID 135422471) is 6,7-dimethyl-3H-pteridin-4-one.
What is the SMILES notation for 6,7-dimethyl-3H-pteridin-4-one?
The canonical SMILES for 6,7-dimethyl-3H-pteridin-4-one is Cc1nc2nc[nH]c(=O)c2nc1C.
What is the InChIKey of 6,7-dimethyl-3H-pteridin-4-one?
The InChIKey is YZZHLQUXFAOLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O/c1-4-5(2)12-7-6(11-4)8(13)10-3-9-7/h3H,1-2H3,(H,9,10,12,13).
What are the key properties of 6,7-dimethyl-3H-pteridin-4-one?
6,7-dimethyl-3H-pteridin-4-one has a molecular weight of 176.18 g/mol, XLogP of 0.33, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-3H-pteridin-4-one is sourced from PubChem (CID 135422471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).