ethyl 2-phenylpyrimidine-5-carboxylate

C13H12N2O2 — CID 10489528

IUPACethyl 2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C13H12N2O2/c1-2-17-13(16)11-8-14-12(15-9-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyADXNMWBLJLAMNG-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.32
Rot. Bonds3

About ethyl 2-phenylpyrimidine-5-carboxylate

ethyl 2-phenylpyrimidine-5-carboxylate (PubChem CID 10489528) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 2-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylpyrimidine-5-carboxylate
PubChem CID10489528
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Nameethyl 2-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C13H12N2O2/c1-2-17-13(16)11-8-14-12(15-9-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyADXNMWBLJLAMNG-UHFFFAOYSA-N
XLogP2.32
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-phenylpyrimidine-5-carboxylate 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 ethyl 2-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-phenylpyrimidine-5-carboxylate (CID 10489528) is ethyl 2-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-phenylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of ethyl 2-phenylpyrimidine-5-carboxylate?
The InChIKey is ADXNMWBLJLAMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-17-13(16)11-8-14-12(15-9-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-phenylpyrimidine-5-carboxylate?
ethyl 2-phenylpyrimidine-5-carboxylate has a molecular weight of 228.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 10489528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).