2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one

C17H17N3O2 — CID 135899153

IUPAC2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccccc1CCOCc1nc2ncccc2c(=O)[nH]1
InChIInChI=1S/C17H17N3O2/c1-12-5-2-3-6-13(12)8-10-22-11-15-19-16-14(17(21)20-15)7-4-9-18-16/h2-7,9H,8,10-11H2,1H3,(H,18,19,20,21)
InChIKeyCBZXOMYALABZPC-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.39
Rot. Bonds5

About 2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one

2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135899153) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135899153
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESCc1ccccc1CCOCc1nc2ncccc2c(=O)[nH]1
InChIInChI=1S/C17H17N3O2/c1-12-5-2-3-6-13(12)8-10-22-11-15-19-16-14(17(21)20-15)7-4-9-18-16/h2-7,9H,8,10-11H2,1H3,(H,18,19,20,21)
InChIKeyCBZXOMYALABZPC-UHFFFAOYSA-N
XLogP2.39
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-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 2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135899153) is 2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one is Cc1ccccc1CCOCc1nc2ncccc2c(=O)[nH]1.
What is the InChIKey of 2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is CBZXOMYALABZPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-12-5-2-3-6-13(12)8-10-22-11-15-19-16-14(17(21)20-15)7-4-9-18-16/h2-7,9H,8,10-11H2,1H3,(H,18,19,20,21).
What are the key properties of 2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one?
2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 295.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)ethoxymethyl]-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135899153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).