2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde

C14H14N2O3 — CID 57271576

IUPAC2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde
SMILESCOCc1cnc(-c2ccccc2)n(CC=O)c1=O
InChIInChI=1S/C14H14N2O3/c1-19-10-12-9-15-13(11-5-3-2-4-6-11)16(7-8-17)14(12)18/h2-6,8-9H,7,10H2,1H3
InChIKeySDSOTHSEXBNPKI-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.26
Rot. Bonds5

About 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde

2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde (PubChem CID 57271576) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde.

Molecular Properties

Compound Name2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde
PubChem CID57271576
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde
SMILESCOCc1cnc(-c2ccccc2)n(CC=O)c1=O
InChIInChI=1S/C14H14N2O3/c1-19-10-12-9-15-13(11-5-3-2-4-6-11)16(7-8-17)14(12)18/h2-6,8-9H,7,10H2,1H3
InChIKeySDSOTHSEXBNPKI-UHFFFAOYSA-N
XLogP1.26
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde 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-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde?
The IUPAC name of 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde (CID 57271576) is 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde.
What is the SMILES notation for 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde?
The canonical SMILES for 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde is COCc1cnc(-c2ccccc2)n(CC=O)c1=O.
What is the InChIKey of 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde?
The InChIKey is SDSOTHSEXBNPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-19-10-12-9-15-13(11-5-3-2-4-6-11)16(7-8-17)14(12)18/h2-6,8-9H,7,10H2,1H3.
What are the key properties of 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde?
2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde has a molecular weight of 258.28 g/mol, XLogP of 1.26, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(methoxymethyl)-6-oxo-2-phenylpyrimidin-1-yl]acetaldehyde is sourced from PubChem (CID 57271576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).