ethyl 2-phenylpyrimidine-4-carboxylate

C13H12N2O2 — CID 15372804

IUPACethyl 2-phenylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C13H12N2O2/c1-2-17-13(16)11-8-9-14-12(15-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyXATVVKSGALQBIP-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.32
Rot. Bonds3

About ethyl 2-phenylpyrimidine-4-carboxylate

ethyl 2-phenylpyrimidine-4-carboxylate (PubChem CID 15372804) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is ethyl 2-phenylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylpyrimidine-4-carboxylate
PubChem CID15372804
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Nameethyl 2-phenylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccccc2)n1
InChIInChI=1S/C13H12N2O2/c1-2-17-13(16)11-8-9-14-12(15-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3
InChIKeyXATVVKSGALQBIP-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

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Related Compounds

Ethyl 2-phenyl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 3522145
Ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
[4-Amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 1-methylpyrrole-2-carboxylate
CID 2550328
Ethyl 3-phenyl-1-pyridin-2-ylpyrazole-5-carboxylate
CID 5223324
[4-Amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 1-methylpyrrole-2-carboxylate
CID 2572814
2-[Methyl(2-phenylethyl)amino]-6-morpholin-4-ylpyrimidine-4-carboxylic acid
CID 152011580
2-Phenylpyrimidine-4-carbaldehyde
CID 12930867
2-(4-Fluorophenyl)pyrimidine-4-carboxylic acid
CID 33777603
5-Chloro-2-phenylpyrimidine-4-carboxylic acid
CID 57346647
6-(2-Phenylethenyl)pyrimidine-4-carboxylic acid
CID 71844363
Methyl 2-[methyl-(2-methylpyrimidine-4-carbonyl)amino]-2-phenylacetate
CID 72041427
2-[(2E)-2-benzylidenehydrazinyl]pyrimidine-4-carboxylic acid
CID 127030290

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-phenylpyrimidine-4-carboxylate (CID 15372804) is ethyl 2-phenylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-phenylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-phenylpyrimidine-4-carboxylate is CCOC(=O)c1ccnc(-c2ccccc2)n1.
What is the InChIKey of ethyl 2-phenylpyrimidine-4-carboxylate?
The InChIKey is XATVVKSGALQBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c1-2-17-13(16)11-8-9-14-12(15-11)10-6-4-3-5-7-10/h3-9H,2H2,1H3.
What are the key properties of ethyl 2-phenylpyrimidine-4-carboxylate?
ethyl 2-phenylpyrimidine-4-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-4-carboxylate is sourced from PubChem (CID 15372804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).