ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate

C10H12N2O4 — CID 7453722

IUPACethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(C)=O)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-3-16-10(15)7-5-11-8(4-6(2)13)12-9(7)14/h5H,3-4H2,1-2H3,(H,11,12,14)
InChIKeyJRVKVWVDTMITTQ-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.08
Rot. Bonds4

About ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate

ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate (PubChem CID 7453722) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate
PubChem CID7453722
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Nameethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(CC(C)=O)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-3-16-10(15)7-5-11-8(4-6(2)13)12-9(7)14/h5H,3-4H2,1-2H3,(H,11,12,14)
InChIKeyJRVKVWVDTMITTQ-UHFFFAOYSA-N
XLogP0.08
TPSA89.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-hydroxy-2-methylpyrimidine-5-carboxylate
CID 293750
Ethyl 2-(tert-butyl)-4-hydroxypyrimidine-5-carboxylate
CID 2304284
Ethyl 2-ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 12363082
Ethyl 2-Cyclopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 24903910
5-(Ethoxymethyl)-2-methylpyrimidin-4(3h)-one
CID 224568
Ethyl 1,6-dihydro-2-methoxy-6-oxopyrimidine-5-carboxylate
CID 3017602
ethyl 2-(fluoromethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 53765173
Ethyl 2-(1,1-Difluoroethyl)-4-hydroxypyrimidine-5-carboxylate
CID 162422182
ethyl 2-(1,1-difluoroethyl)-6-oxo-1H-pyrimidine-5-carboxylate;molecular hydrogen
CID 177176223
ethyl 6-oxo-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-5-carboxylate
CID 62022072
ethyl 6-oxo-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-5-carboxylate
CID 79965019
ethyl 6-oxo-2-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrimidine-5-carboxylate
CID 103150197

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate (CID 7453722) is ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(CC(C)=O)[nH]c1=O.
What is the InChIKey of ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate?
The InChIKey is JRVKVWVDTMITTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-3-16-10(15)7-5-11-8(4-6(2)13)12-9(7)14/h5H,3-4H2,1-2H3,(H,11,12,14).
What are the key properties of ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate?
ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate has a molecular weight of 224.22 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-(2-oxopropyl)-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 7453722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).