ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate

C8H10N2O4 — CID 3017602

IUPACethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(OC)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-3-14-7(12)5-4-9-8(13-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyRJPMHGXYDBJTGU-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.04
Rot. Bonds3

About ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 3017602) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID3017602
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Nameethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(OC)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-3-14-7(12)5-4-9-8(13-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11)
InChIKeyRJPMHGXYDBJTGU-UHFFFAOYSA-N
XLogP-0.04
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate (CID 3017602) is ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(OC)[nH]c1=O.
What is the InChIKey of ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is RJPMHGXYDBJTGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-3-14-7(12)5-4-9-8(13-2)10-6(5)11/h4H,3H2,1-2H3,(H,9,10,11).
What are the key properties of ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 198.18 g/mol, XLogP of -0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methoxy-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 3017602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).