2,4-dimethoxy-6-methyl-8H-pteridin-7-one

C9H10N4O3 — CID 822294

IUPAC2,4-dimethoxy-6-methyl-8H-pteridin-7-one
SMILESCOc1nc(OC)c2nc(C)c(=O)[nH]c2n1
InChIInChI=1S/C9H10N4O3/c1-4-7(14)11-6-5(10-4)8(15-2)13-9(12-6)16-3/h1-3H3,(H,11,12,13,14)
InChIKeyHFUIVSYLTDASNH-UHFFFAOYSA-N
MW222.20 g/mol
LogP0.04
Rot. Bonds2

About 2,4-dimethoxy-6-methyl-8H-pteridin-7-one

2,4-dimethoxy-6-methyl-8H-pteridin-7-one (PubChem CID 822294) has the molecular formula C9H10N4O3 and a molecular weight of 222.20 g/mol. Its IUPAC name is 2,4-dimethoxy-6-methyl-8H-pteridin-7-one.

Molecular Properties

Compound Name2,4-dimethoxy-6-methyl-8H-pteridin-7-one
PubChem CID822294
Molecular FormulaC9H10N4O3
Molecular Weight222.20 g/mol
Exact Mass222.08
IUPAC Name2,4-dimethoxy-6-methyl-8H-pteridin-7-one
SMILESCOc1nc(OC)c2nc(C)c(=O)[nH]c2n1
InChIInChI=1S/C9H10N4O3/c1-4-7(14)11-6-5(10-4)8(15-2)13-9(12-6)16-3/h1-3H3,(H,11,12,13,14)
InChIKeyHFUIVSYLTDASNH-UHFFFAOYSA-N
XLogP0.04
TPSA89.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.20
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,4-dimethoxy-6-methyl-8H-pteridin-7-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 2,4-dimethoxy-6-methyl-8H-pteridin-7-one?
The IUPAC name of 2,4-dimethoxy-6-methyl-8H-pteridin-7-one (CID 822294) is 2,4-dimethoxy-6-methyl-8H-pteridin-7-one.
What is the SMILES notation for 2,4-dimethoxy-6-methyl-8H-pteridin-7-one?
The canonical SMILES for 2,4-dimethoxy-6-methyl-8H-pteridin-7-one is COc1nc(OC)c2nc(C)c(=O)[nH]c2n1.
What is the InChIKey of 2,4-dimethoxy-6-methyl-8H-pteridin-7-one?
The InChIKey is HFUIVSYLTDASNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O3/c1-4-7(14)11-6-5(10-4)8(15-2)13-9(12-6)16-3/h1-3H3,(H,11,12,13,14).
What are the key properties of 2,4-dimethoxy-6-methyl-8H-pteridin-7-one?
2,4-dimethoxy-6-methyl-8H-pteridin-7-one has a molecular weight of 222.20 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-methyl-8H-pteridin-7-one is sourced from PubChem (CID 822294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).