6-methoxy-3H-pteridin-4-one

C7H6N4O2 — CID 135742619

IUPAC6-methoxy-3H-pteridin-4-one
SMILESCOc1cnc2nc[nH]c(=O)c2n1
InChIInChI=1S/C7H6N4O2/c1-13-4-2-8-6-5(11-4)7(12)10-3-9-6/h2-3H,1H3,(H,8,9,10,12)
InChIKeyOFNZHNHXMOKULR-UHFFFAOYSA-N
MW178.15 g/mol
LogP-0.28
Rot. Bonds1

About 6-methoxy-3H-pteridin-4-one

6-methoxy-3H-pteridin-4-one (PubChem CID 135742619) has the molecular formula C7H6N4O2 and a molecular weight of 178.15 g/mol. Its IUPAC name is 6-methoxy-3H-pteridin-4-one.

Molecular Properties

Compound Name6-methoxy-3H-pteridin-4-one
PubChem CID135742619
Molecular FormulaC7H6N4O2
Molecular Weight178.15 g/mol
Exact Mass178.05
IUPAC Name6-methoxy-3H-pteridin-4-one
SMILESCOc1cnc2nc[nH]c(=O)c2n1
InChIInChI=1S/C7H6N4O2/c1-13-4-2-8-6-5(11-4)7(12)10-3-9-6/h2-3H,1H3,(H,8,9,10,12)
InChIKeyOFNZHNHXMOKULR-UHFFFAOYSA-N
XLogP-0.28
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-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

Related Compounds

2-methoxy-6H-pyrido[3,4-b]pyrazin-5-one
CID 122435153
3-methyl-6H-pyrimido[5,4-e][1,2,4]triazin-5-one
CID 135460323
6-(3-methylphenyl)-3H-pteridin-4-one
CID 155956896
6-[(1R,2S)-1,2,3-trihydroxypropyl]-3H-pteridin-4-one
CID 136646470
4-(6-methoxy-3-pyridinyl)-5-methyl-1H-pyrimidin-6-one
CID 136692328
2,6-dihydrotriazolo[4,5-d]pyrimidin-7-one
CID 135410720
5-methoxy-2H-triazolo[4,5-b]pyrazine
CID 146482367
9-(4-methoxyphenyl)-1H-purin-6-one
CID 135491131
2-(4-methoxyphenyl)-6H-pyrimido[4,5-d]pyrimidin-5-one
CID 136668680
1,7-dihydropurin-6-one
CID 135546991
12-methoxy-8-thia-3,5,10,13-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraene-4,6-dione;hydrochloride
CID 142642156
3,5-dihydropteridine-4,6-dione
CID 135755313

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3H-pteridin-4-one?
The IUPAC name of 6-methoxy-3H-pteridin-4-one (CID 135742619) is 6-methoxy-3H-pteridin-4-one.
What is the SMILES notation for 6-methoxy-3H-pteridin-4-one?
The canonical SMILES for 6-methoxy-3H-pteridin-4-one is COc1cnc2nc[nH]c(=O)c2n1.
What is the InChIKey of 6-methoxy-3H-pteridin-4-one?
The InChIKey is OFNZHNHXMOKULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4O2/c1-13-4-2-8-6-5(11-4)7(12)10-3-9-6/h2-3H,1H3,(H,8,9,10,12).
What are the key properties of 6-methoxy-3H-pteridin-4-one?
6-methoxy-3H-pteridin-4-one has a molecular weight of 178.15 g/mol, XLogP of -0.28, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3H-pteridin-4-one is sourced from PubChem (CID 135742619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).