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

C11H16N2O4 — CID 79198292

IUPACethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)(C)OC)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-5-17-9(15)7-6-12-10(13-8(7)14)11(2,3)16-4/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyRYUNGMFASAHAEK-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.83
Rot. Bonds4

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

ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 79198292) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID79198292
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)(C)OC)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-5-17-9(15)7-6-12-10(13-8(7)14)11(2,3)16-4/h6H,5H2,1-4H3,(H,12,13,14)
InChIKeyRYUNGMFASAHAEK-UHFFFAOYSA-N
XLogP0.83
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.83
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
2-(2-Methoxypropan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 79198178
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
5-(Ethoxycarbonyl)-6-oxo-1,6-dihydropyrimidine-2-carboxylic
CID 129823866
ethyl 6-oxo-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidine-5-carboxylate
CID 103476107
ethyl 6-oxo-2-(2,2,2-trifluoroethoxymethyl)-1H-pyrimidine-5-carboxylate
CID 103476108
Ethyl 2-butyl-6-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 10242733
Ethyl 6-oxo-2-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 12901694
Ethyl 4-hydroxy-2-isopropylpyrimidine-5-carboxylate
CID 12901697

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 79198292) is ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(C)(C)OC)[nH]c1=O.
What is the InChIKey of ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is RYUNGMFASAHAEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-5-17-9(15)7-6-12-10(13-8(7)14)11(2,3)16-4/h6H,5H2,1-4H3,(H,12,13,14).
What are the key properties of ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 79198292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).