2-phenylpyrimidine-5-carbaldehyde

C11H8N2O — CID 820135

IUPAC2-phenylpyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C11H8N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-8H
InChIKeyAUTGLFSBJLERMV-UHFFFAOYSA-N
MW184.20 g/mol
LogP1.96
Rot. Bonds2

About 2-phenylpyrimidine-5-carbaldehyde

2-phenylpyrimidine-5-carbaldehyde (PubChem CID 820135) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-phenylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-phenylpyrimidine-5-carbaldehyde
PubChem CID820135
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name2-phenylpyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(-c2ccccc2)nc1
InChIInChI=1S/C11H8N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-8H
InChIKeyAUTGLFSBJLERMV-UHFFFAOYSA-N
XLogP1.96
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-phenylpyrimidine-5-carbaldehyde 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-phenylpyrimidine-5-carbaldehyde?
The IUPAC name of 2-phenylpyrimidine-5-carbaldehyde (CID 820135) is 2-phenylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-phenylpyrimidine-5-carbaldehyde?
The canonical SMILES for 2-phenylpyrimidine-5-carbaldehyde is O=Cc1cnc(-c2ccccc2)nc1.
What is the InChIKey of 2-phenylpyrimidine-5-carbaldehyde?
The InChIKey is AUTGLFSBJLERMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-8-9-6-12-11(13-7-9)10-4-2-1-3-5-10/h1-8H.
What are the key properties of 2-phenylpyrimidine-5-carbaldehyde?
2-phenylpyrimidine-5-carbaldehyde has a molecular weight of 184.20 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 820135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).