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

C8H10N2O4 — CID 136655437

IUPACethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C)[nH]c(=O)c1O
InChIInChI=1S/C8H10N2O4/c1-3-14-8(13)5-6(11)7(12)10-4(2)9-5/h11H,3H2,1-2H3,(H,9,10,12)
InChIKeyXQLIQKKAMKQXOH-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.04
Rot. Bonds2

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

ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 136655437) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID136655437
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(C)[nH]c(=O)c1O
InChIInChI=1S/C8H10N2O4/c1-3-14-8(13)5-6(11)7(12)10-4(2)9-5/h11H,3H2,1-2H3,(H,9,10,12)
InChIKeyXQLIQKKAMKQXOH-UHFFFAOYSA-N
XLogP-0.04
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,5-dimethyl-1H-imidazole-4-carboxylate;thionyl dichloride
CID 129032483
ethyl 2-methyl-5-(2-methylcyclopropyl)-1H-imidazole-4-carboxylate
CID 46941558
CID 177047247
CID 177047247
ethyl 2-methyl-5-tridecyl-1H-imidazole-4-carboxylate
CID 59079325
ethyl 7-bromo-2-methyl-4-oxo-3H-imidazo[5,1-f][1,2,4]triazine-5-carboxylate
CID 137288424
diethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404198
ethyl 5-oxo-1,2-dihydrotriazole-4-carboxylate
CID 12937514
ethyl 2-cyano-5-methyl-1H-imidazole-4-carboxylate
CID 45120938
ethyl 4-hydroxy-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxylate
CID 54694602
ethyl 3-butyl-5-oxo-4H-1,2,4-triazine-6-carboxylate
CID 135625474
ethyl 2-methyl-6-oxo-1H-pyrazine-3-carboxylate
CID 130116351
ethyl 5-methyl-2-methylsulfonyl-1H-imidazole-4-carboxylate
CID 69175733

Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate (CID 136655437) is ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate is CCOC(=O)c1nc(C)[nH]c(=O)c1O.
What is the InChIKey of ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is XQLIQKKAMKQXOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-14-8(13)5-6(11)7(12)10-4(2)9-5/h11H,3H2,1-2H3,(H,9,10,12).
What are the key properties of ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate?
ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 198.18 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 136655437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).