ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate

C14H14N2O2 — CID 135045794

IUPACethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)ncnc1-c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-3-18-14(17)12-10(2)15-9-16-13(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyUNAAZCAHWHGFOM-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.63
Rot. Bonds3

About ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate

ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate (PubChem CID 135045794) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
PubChem CID135045794
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Nameethyl 4-methyl-6-phenylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1c(C)ncnc1-c1ccccc1
InChIInChI=1S/C14H14N2O2/c1-3-18-14(17)12-10(2)15-9-16-13(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3
InChIKeyUNAAZCAHWHGFOM-UHFFFAOYSA-N
XLogP2.63
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 4-methyl-6-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

Related Compounds

methyl 4-methyl-6-phenylpyrimidine-5-carboxylate
CID 135045136
ethyl 2-ethyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241104
CID 154709525
CID 154709525
ethyl 2-hydrazinyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 71660499
ethyl 2-(dipyridin-2-ylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 122401115
ethyl 2-(diethylamino)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 134844115
ethyl 4-phenylpyrimidine-5-carboxylate;4-phenylpyrimidine-5-carboxylic acid
CID 159272594
ethyl 2-(4-methoxyphenyl)-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 102584507
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
diethyl 2-ethyl-4-methyl-6-phenylpyridine-3,5-dicarboxylate
CID 10521182
ethyl 6-methyl-2-oxo-4-phenyl-1H-pyrimidine-5-carboxylate
CID 2763693
ethyl 2-decyl-4-methyl-6-phenylpyrimidine-5-carboxylate
CID 139241116

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate (CID 135045794) is ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate is CCOC(=O)c1c(C)ncnc1-c1ccccc1.
What is the InChIKey of ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate?
The InChIKey is UNAAZCAHWHGFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c1-3-18-14(17)12-10(2)15-9-16-13(12)11-7-5-4-6-8-11/h4-9H,3H2,1-2H3.
What are the key properties of ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate?
ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate has a molecular weight of 242.28 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-6-phenylpyrimidine-5-carboxylate is sourced from PubChem (CID 135045794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).