4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate

C9H10N2O6 — CID 136655027

IUPAC4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OC)[nH]c(=O)c1O
InChIInChI=1S/C9H10N2O6/c1-3-17-8(14)4-5(12)7(13)11-6(10-4)9(15)16-2/h12H,3H2,1-2H3,(H,10,11,13)
InChIKeyYZBKVCOVHCTPKI-UHFFFAOYSA-N
MW242.19 g/mol
LogP-0.56
Rot. Bonds3

About 4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate

4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate (PubChem CID 136655027) has the molecular formula C9H10N2O6 and a molecular weight of 242.19 g/mol. Its IUPAC name is 4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate.

Molecular Properties

Compound Name4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate
PubChem CID136655027
Molecular FormulaC9H10N2O6
Molecular Weight242.19 g/mol
Exact Mass242.05
IUPAC Name4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate
SMILESCCOC(=O)c1nc(C(=O)OC)[nH]c(=O)c1O
InChIInChI=1S/C9H10N2O6/c1-3-17-8(14)4-5(12)7(13)11-6(10-4)9(15)16-2/h12H,3H2,1-2H3,(H,10,11,13)
InChIKeyYZBKVCOVHCTPKI-UHFFFAOYSA-N
XLogP-0.56
TPSA118.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Methyl 5,6-dihydroxy-2-methylpyrimidine-4-carboxylate
CID 136108483
methyl 2-[2-[(Z)-4-acetyloxybut-2-enoxy]ethyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 136458822
ethyl 5-hydroxy-2-methyl-6-oxo-1H-pyrimidine-4-carboxylate
CID 136655437
Methyl 2-butyl-5,6-dihydroxypyrimidine-4-carboxylate
CID 135445949
4,5-Dihydroxy-6-(methoxycarbonyl)pyrimidine-2-carboxylic acid
CID 135446348
Ethyl 2-(2-(3-chloropropoxy)propan-2-yl)-5-hydroxy-6-oxo-1,6-dihydropyrimidine-4-carboxylate
CID 135848641
methyl 2-(dimethylcarbamoyl)-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 135960644
2-(5-hydroxy-4-methoxycarbonyl-6-oxo-1H-pyrimidin-2-yl)propan-2-ylazanide;tungsten
CID 135961620
Methyl 2-(1-Amino-1-methylethyl)-5,6-dihydroxypyrimidine-4-carboxylate
CID 135961621
ethyl 5-hydroxy-2-[2-(2-hydroxyethoxy)ethyl]-6-oxo-1H-pyrimidine-4-carboxylate
CID 136094111
ethyl 2-tert-butyl-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylate
CID 136164148
4-(ethoxymethyl)-5-methyl-6-oxo-1H-pyrimidine-2-carboxylic acid
CID 136201157

Frequently Asked Questions

What is the IUPAC name of 4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate?
The IUPAC name of 4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate (CID 136655027) is 4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate.
What is the SMILES notation for 4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate?
The canonical SMILES for 4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate is CCOC(=O)c1nc(C(=O)OC)[nH]c(=O)c1O.
What is the InChIKey of 4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate?
The InChIKey is YZBKVCOVHCTPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O6/c1-3-17-8(14)4-5(12)7(13)11-6(10-4)9(15)16-2/h12H,3H2,1-2H3,(H,10,11,13).
What are the key properties of 4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate?
4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate has a molecular weight of 242.19 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-O-ethyl 2-O-methyl 5-hydroxy-6-oxo-1H-pyrimidine-2,4-dicarboxylate is sourced from PubChem (CID 136655027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).