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

C8H10N2O3 — CID 2745455

IUPACethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C8H10N2O3/c1-3-13-7(11)6-4-5(2)9-8(12)10-6/h4H,3H2,1-2H3,(H,9,10,12)
InChIKeyOPQVHMZXJNJYBP-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.26
Rot. Bonds2

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

ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 2745455) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate
PubChem CID2745455
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Nameethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate
SMILESCCOC(=O)c1cc(C)[nH]c(=O)n1
InChIInChI=1S/C8H10N2O3/c1-3-13-7(11)6-4-5(2)9-8(12)10-6/h4H,3H2,1-2H3,(H,9,10,12)
InChIKeyOPQVHMZXJNJYBP-UHFFFAOYSA-N
XLogP0.26
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate (CID 2745455) is ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate is CCOC(=O)c1cc(C)[nH]c(=O)n1.
What is the InChIKey of ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is OPQVHMZXJNJYBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-13-7(11)6-4-5(2)9-8(12)10-6/h4H,3H2,1-2H3,(H,9,10,12).
What are the key properties of ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate?
ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 182.18 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-2-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 2745455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).