ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

C10H16N2O3 — CID 123471883

IUPACethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(CC)=NC(=O)NC1C
InChIInChI=1S/C10H16N2O3/c1-4-7-8(9(13)15-5-2)6(3)11-10(14)12-7/h6,8H,4-5H2,1-3H3,(H,11,14)
InChIKeyUVOOXZGFICMRNX-UHFFFAOYSA-N
MW212.25 g/mol
LogP1.13
Rot. Bonds3

About ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate

ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 123471883) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID123471883
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Nameethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1C(CC)=NC(=O)NC1C
InChIInChI=1S/C10H16N2O3/c1-4-7-8(9(13)15-5-2)6(3)11-10(14)12-7/h6,8H,4-5H2,1-3H3,(H,11,14)
InChIKeyUVOOXZGFICMRNX-UHFFFAOYSA-N
XLogP1.13
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[[(E)-3-(furan-2-yl)prop-2-enoyl]oxymethyl]-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91898322
diethyl (2S,3R,5S,6S)-2,6-dimethyl-4-oxopiperidine-3,5-dicarboxylate
CID 124603795
ethyl 4-(chloromethyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 170921060
ethyl 6-(3-chlorophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91049028
cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91592333
ethyl 2-ethyl-8-methyl-5-oxo-4-phenyl-4,6-dihydro-3H-1,6-naphthyridine-3-carboxylate
CID 54263903
cis-ethyl (1S,2R)-2-methyl-5-oxocyclopentane-1-carboxylate
CID 15253094
ethyl 6-(furan-2-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 90759980
ethyl (5R,6S)-6-[(1S)-cyclohex-3-en-1-yl]-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 140917667
ethyl 6-(2-bromophenyl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91210558
ethyl (5R)-6-[(1S)-cyclohex-3-en-1-yl]-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 155273663
ethyl 2-oxo-6-phenyl-4-(trifluoromethyl)-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91071103

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 123471883) is ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1C(CC)=NC(=O)NC1C.
What is the InChIKey of ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is UVOOXZGFICMRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-4-7-8(9(13)15-5-2)6(3)11-10(14)12-7/h6,8H,4-5H2,1-3H3,(H,11,14).
What are the key properties of ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 212.25 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-6-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 123471883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).