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

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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).