ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate

C10H14N2O3 — CID 12901694

IUPACethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
SMILESCCCc1ncc(C(=O)OCC)c(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c1-3-5-8-11-6-7(9(13)12-8)10(14)15-4-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyFHQSAIYCUUEHRG-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.90
Rot. Bonds4

About ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate

ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate (PubChem CID 12901694) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
PubChem CID12901694
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate
SMILESCCCc1ncc(C(=O)OCC)c(=O)[nH]1
InChIInChI=1S/C10H14N2O3/c1-3-5-8-11-6-7(9(13)12-8)10(14)15-4-2/h6H,3-5H2,1-2H3,(H,11,12,13)
InChIKeyFHQSAIYCUUEHRG-UHFFFAOYSA-N
XLogP0.90
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(butoxymethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 89471593
ethyl 2-propyl-1H-imidazole-5-carboxylate
CID 10607505
ethyl 2-(2-methylpropylsulfanylmethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 65137342
ethyl 2-[(2,6-dichlorophenyl)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022661
ethyl 2-[(3-bromophenyl)sulfanylmethyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 66158855
ethyl 2,6-dioxo-1,5-dihydropyrido[2,3-b]pyrazine-7-carboxylate
CID 168862194
ethyl 2-(2-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022472
ethyl 2-(3-methylimidazol-4-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 82903966
methyl 2-(2-cyclopropylethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 165448410
methyl 2-(3-methylsulfanylpropyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 165445076
5-iodo-2-propyl-1H-pyrimidin-6-one
CID 66316785
ethyl 2-(3,5-dichloroanilino)-6-oxo-1H-pyrimidine-5-carboxylate
CID 17229204

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate (CID 12901694) is ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate is CCCc1ncc(C(=O)OCC)c(=O)[nH]1.
What is the InChIKey of ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate?
The InChIKey is FHQSAIYCUUEHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-5-8-11-6-7(9(13)12-8)10(14)15-4-2/h6H,3-5H2,1-2H3,(H,11,12,13).
What are the key properties of ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate?
ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-propyl-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 12901694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).