ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate

C10H14N2O3 — CID 12901697

IUPACethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)C)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)7-5-11-8(6(2)3)12-9(7)13/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyUNLGDDICUOMAIG-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.07
Rot. Bonds3

About ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate

ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate (PubChem CID 12901697) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate
PubChem CID12901697
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Nameethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)C)[nH]c1=O
InChIInChI=1S/C10H14N2O3/c1-4-15-10(14)7-5-11-8(6(2)3)12-9(7)13/h5-6H,4H2,1-3H3,(H,11,12,13)
InChIKeyUNLGDDICUOMAIG-UHFFFAOYSA-N
XLogP1.07
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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 4-hydroxy-2-(trifluoromethyl)pyrimidine-5-carboxylate
CID 5063336
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-[cyclopropyl(difluoro)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 170718284
ethyl 2-(1,1-difluoroethyl)-6-oxo-1H-pyrimidine-5-carboxylate;molecular hydrogen
CID 177176223
5-(Ethoxycarbonyl)-6-oxo-1,6-dihydropyrimidine-2-carboxylic
CID 129823866

Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate (CID 12901697) is ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(C)C)[nH]c1=O.
What is the InChIKey of ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate?
The InChIKey is UNLGDDICUOMAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-4-15-10(14)7-5-11-8(6(2)3)12-9(7)13/h5-6H,4H2,1-3H3,(H,11,12,13).
What are the key properties of ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate?
ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate has a molecular weight of 210.23 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-2-propan-2-yl-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 12901697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).