3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one

C10H11N3O2 — CID 39817833

IUPAC3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccncc2c1=O
InChIInChI=1S/C10H11N3O2/c1-15-5-4-13-7-12-9-2-3-11-6-8(9)10(13)14/h2-3,6-7H,4-5H2,1H3
InChIKeyLFXLNDZJVVVYFV-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.44
Rot. Bonds3

About 3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one

3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one (PubChem CID 39817833) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one
PubChem CID39817833
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one
SMILESCOCCn1cnc2ccncc2c1=O
InChIInChI=1S/C10H11N3O2/c1-15-5-4-13-7-12-9-2-3-11-6-8(9)10(13)14/h2-3,6-7H,4-5H2,1H3
InChIKeyLFXLNDZJVVVYFV-UHFFFAOYSA-N
XLogP0.44
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-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 3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one (CID 39817833) is 3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one is COCCn1cnc2ccncc2c1=O.
What is the InChIKey of 3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LFXLNDZJVVVYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-15-5-4-13-7-12-9-2-3-11-6-8(9)10(13)14/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one?
3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 205.22 g/mol, XLogP of 0.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 39817833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).