ethyl 2-oxo-5H-pyrimidine-5-carboxylate

C7H8N2O3 — CID 45074708

IUPACethyl 2-oxo-5H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C=NC(=O)N=C1
InChIInChI=1S/C7H8N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3-5H,2H2,1H3
InChIKeyJIBIJKCVNDJDLS-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.44
Rot. Bonds2

About ethyl 2-oxo-5H-pyrimidine-5-carboxylate

ethyl 2-oxo-5H-pyrimidine-5-carboxylate (PubChem CID 45074708) has the molecular formula C7H8N2O3 and a molecular weight of 168.15 g/mol. Its IUPAC name is ethyl 2-oxo-5H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-5H-pyrimidine-5-carboxylate
PubChem CID45074708
Molecular FormulaC7H8N2O3
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Nameethyl 2-oxo-5H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C=NC(=O)N=C1
InChIInChI=1S/C7H8N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3-5H,2H2,1H3
InChIKeyJIBIJKCVNDJDLS-UHFFFAOYSA-N
XLogP0.44
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl 3-ethyliminopropanoate
CID 7838994
Ethyl 3-methyliminopropanoate
CID 18322596
Methyl 2,5-dihydropyrimidine-5-carboxylate
CID 54145857
Ethyl 2-methyl-3-methyliminopropanoate
CID 57007445
Ethyl 3-ethylimino-2-methylpropanoate
CID 57236198
Ethyl 3-carbamoylimino-2-methylpropanoate
CID 57316403
Ethyl 2-methyl-3-propyliminopropanoate
CID 57319007
Ethyl 3-formyliminopropanoate
CID 87555267
Ethyl 2-methyl-3-(2-methylpropylimino)propanoate
CID 90742363
Ethyl 2-(butyliminomethyl)-3-cyanoiminopropanoate
CID 90830124
Methyl 2-methyl-3-methyliminopropanoate
CID 91554944
Methyl 3-ethylimino-2-methylpropanoate
CID 123326483

Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-5H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-oxo-5H-pyrimidine-5-carboxylate (CID 45074708) is ethyl 2-oxo-5H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-oxo-5H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-oxo-5H-pyrimidine-5-carboxylate is CCOC(=O)C1C=NC(=O)N=C1.
What is the InChIKey of ethyl 2-oxo-5H-pyrimidine-5-carboxylate?
The InChIKey is JIBIJKCVNDJDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O3/c1-2-12-6(10)5-3-8-7(11)9-4-5/h3-5H,2H2,1H3.
What are the key properties of ethyl 2-oxo-5H-pyrimidine-5-carboxylate?
ethyl 2-oxo-5H-pyrimidine-5-carboxylate has a molecular weight of 168.15 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5H-pyrimidine-5-carboxylate is sourced from PubChem (CID 45074708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).