ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

C7H10N2O3 — CID 57152034

IUPACethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C=NC(=O)NC1
InChIInChI=1S/C7H10N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3,5H,2,4H2,1H3,(H,9,11)
InChIKeyLWYFRFZRDNTQCX-UHFFFAOYSA-N
MW170.17 g/mol
LogP-0.04
Rot. Bonds2

About ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 57152034) has the molecular formula C7H10N2O3 and a molecular weight of 170.17 g/mol. Its IUPAC name is ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID57152034
Molecular FormulaC7H10N2O3
Molecular Weight170.17 g/mol
Exact Mass170.07
IUPAC Nameethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C=NC(=O)NC1
InChIInChI=1S/C7H10N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3,5H,2,4H2,1H3,(H,9,11)
InChIKeyLWYFRFZRDNTQCX-UHFFFAOYSA-N
XLogP-0.04
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 54145549
ethyl 4-(4-methoxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91523541
ethyl (1S,5R,6R)-2-oxo-3-azabicyclo[3.1.0]hexane-6-carboxylate
CID 169274214
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diethyl (3R,4R)-6-oxopiperidine-3,4-dicarboxylate
CID 14201946
ethyl 2-oxo-5H-1,3-thiazole-5-carboxylate
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ethyl 4-hydroxy-5-oxopyrrolidine-3-carboxylate
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lithium;ethyl 3,4-dimethylcyclopent-3-ene-1-carboxylate;chloride
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ethyl 5-pyridin-4-yl-2,3-dihydrothiophene-3-carboxylate
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ethyl 1,1,3,3-tetramethyl-5,6-dihydro-2H-isoindole-5-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 57152034) is ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1C=NC(=O)NC1.
What is the InChIKey of ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is LWYFRFZRDNTQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3,5H,2,4H2,1H3,(H,9,11).
What are the key properties of ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 170.17 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 57152034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).