ethyl 4-ethylpyrimidine-5-carboxylate

C9H12N2O2 — CID 13192894

IUPACethyl 4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1CC
InChIInChI=1S/C9H12N2O2/c1-3-8-7(5-10-6-11-8)9(12)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyZHOXGOGTWSQQFB-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.22
Rot. Bonds3

About ethyl 4-ethylpyrimidine-5-carboxylate

ethyl 4-ethylpyrimidine-5-carboxylate (PubChem CID 13192894) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is ethyl 4-ethylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethylpyrimidine-5-carboxylate
PubChem CID13192894
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Nameethyl 4-ethylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cncnc1CC
InChIInChI=1S/C9H12N2O2/c1-3-8-7(5-10-6-11-8)9(12)13-4-2/h5-6H,3-4H2,1-2H3
InChIKeyZHOXGOGTWSQQFB-UHFFFAOYSA-N
XLogP1.22
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 2-amino-4-(trifluoromethyl)-5-pyrimidinecarboxylate
CID 2737153
Ethyl-2-methylthio-4-methyl-5-pyrimidine carboxylate
CID 188208
Ethyl 2-amino-4-propylpyrimidine-5-carboxylate
CID 2777594
Methyl 4-methyl-2-(methylthio)pyrimidine-5-carboxylate
CID 3343807
Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate
CID 21220624
Ethyl 4-ethyl-2-[methyl-(3-methyl-2,5-dioxopyrrol-1-yl)amino]pyrimidine-5-carboxylate
CID 10245314
Cyclopropyl 4-ethyl-2-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]pyrimidine-5-carboxylate
CID 44319942
2-[Methyl(2,5-dioxo-3-methyl-3-pyrroline-1-yl)amino]-4-(pentafluoroethyl)-5-pyrimidinecarboxylic acid ethyl ester
CID 44319961
Ethyl 2-[acetyl-(3-methyl-2,5-dioxopyrrol-1-yl)amino]-4-propylpyrimidine-5-carboxylate
CID 44320200
Ethyl 4-ethyl-2-[(3-methyl-2,5-dioxopyrrol-1-yl)amino]pyrimidine-5-carboxylate
CID 44320262
Ethyl 2,4-dimethylpyrimidine-5-carboxylate
CID 295888
Ethyl 2-chloro-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 2780355

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-ethylpyrimidine-5-carboxylate (CID 13192894) is ethyl 4-ethylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-ethylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-ethylpyrimidine-5-carboxylate is CCOC(=O)c1cncnc1CC.
What is the InChIKey of ethyl 4-ethylpyrimidine-5-carboxylate?
The InChIKey is ZHOXGOGTWSQQFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-3-8-7(5-10-6-11-8)9(12)13-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of ethyl 4-ethylpyrimidine-5-carboxylate?
ethyl 4-ethylpyrimidine-5-carboxylate has a molecular weight of 180.21 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethylpyrimidine-5-carboxylate is sourced from PubChem (CID 13192894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).