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

C16H15N3O2 — CID 135899321

IUPAC2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COCCc2ccccc2)nc2ncccc12
InChIInChI=1S/C16H15N3O2/c20-16-13-7-4-9-17-15(13)18-14(19-16)11-21-10-8-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H,17,18,19,20)
InChIKeyLGSQDXRBAWJCKK-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.08
Rot. Bonds5

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

2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (PubChem CID 135899321) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
PubChem CID135899321
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(COCCc2ccccc2)nc2ncccc12
InChIInChI=1S/C16H15N3O2/c20-16-13-7-4-9-17-15(13)18-14(19-16)11-21-10-8-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H,17,18,19,20)
InChIKeyLGSQDXRBAWJCKK-UHFFFAOYSA-N
XLogP2.08
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-phenylethoxymethyl)-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-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one (CID 135899321) is 2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is O=c1[nH]c(COCCc2ccccc2)nc2ncccc12.
What is the InChIKey of 2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
The InChIKey is LGSQDXRBAWJCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c20-16-13-7-4-9-17-15(13)18-14(19-16)11-21-10-8-12-5-2-1-3-6-12/h1-7,9H,8,10-11H2,(H,17,18,19,20).
What are the key properties of 2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one?
2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one has a molecular weight of 281.31 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethoxymethyl)-3H-pyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 135899321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).