ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate

C12H11N3O2 — CID 135026701

IUPACethyl 2-pyridin-2-ylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccccn2)n1
InChIInChI=1S/C12H11N3O2/c1-2-17-12(16)10-6-8-14-11(15-10)9-5-3-4-7-13-9/h3-8H,2H2,1H3
InChIKeyOKWNFZOSPMXEEV-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.72
Rot. Bonds3

About ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate

ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate (PubChem CID 135026701) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-pyridin-2-ylpyrimidine-4-carboxylate
PubChem CID135026701
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Nameethyl 2-pyridin-2-ylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1ccnc(-c2ccccn2)n1
InChIInChI=1S/C12H11N3O2/c1-2-17-12(16)10-6-8-14-11(15-10)9-5-3-4-7-13-9/h3-8H,2H2,1H3
InChIKeyOKWNFZOSPMXEEV-UHFFFAOYSA-N
XLogP1.72
TPSA64.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Pyridin-2-yl)pyrimidine-4-carboxylic acid
CID 62749366
Methyl imidazo(1,2-a)pyridine-5-carboxylate
CID 13045345
2-(Pyridin-2-yl)pyrimidine-4-carbaldehyde
CID 18966373
2-tert-butyl-6-(methoxymethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 75380111
Potassium 6-methyl-3-(pyrimidin-2-yl)pyridine-2-carboxylate
CID 165835226
Methyl 6-((4-fluorobenzyl)(methyl)amino)pyrimidine-4-carboxylate
CID 172055312
Methyl 6-(((6-fluoropyridin-3-yl)methyl)(methyl)amino)pyrimidine-4-carboxylate
CID 172055314
Methyl 2-chloro-6-(((6-fluoropyridin-3-yl)methyl)amino)pyrimidine-4-carboxylate
CID 172055317
Methyl 2-chloro-6-(((6-fluoropyridin-3-yl)methyl)(methyl)amino)pyrimidine-4-carboxylate
CID 172055327
Diethyl 2-phenylpyrimidine-4,5-dicarboxylate
CID 12367960
Ethyl 2-phenylpyrimidine-4-carboxylate
CID 15372804
Methyl 2-phenylpyrimidine-4-carboxylate
CID 71282619

Frequently Asked Questions

What is the IUPAC name of ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate (CID 135026701) is ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate is CCOC(=O)c1ccnc(-c2ccccn2)n1.
What is the InChIKey of ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate?
The InChIKey is OKWNFZOSPMXEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-2-17-12(16)10-6-8-14-11(15-10)9-5-3-4-7-13-9/h3-8H,2H2,1H3.
What are the key properties of ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate?
ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate has a molecular weight of 229.24 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-pyridin-2-ylpyrimidine-4-carboxylate is sourced from PubChem (CID 135026701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).