6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid

C8H10N2O3 — CID 81346730

IUPAC6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCCc1[nH]c(=O)nc(C(=O)O)c1C
InChIInChI=1S/C8H10N2O3/c1-3-5-4(2)6(7(11)12)10-8(13)9-5/h3H2,1-2H3,(H,11,12)(H,9,10,13)
InChIKeyCLRUBHJVSSLKPD-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.34
Rot. Bonds2

About 6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid

6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 81346730) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID81346730
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid
SMILESCCc1[nH]c(=O)nc(C(=O)O)c1C
InChIInChI=1S/C8H10N2O3/c1-3-5-4(2)6(7(11)12)10-8(13)9-5/h3H2,1-2H3,(H,11,12)(H,9,10,13)
InChIKeyCLRUBHJVSSLKPD-UHFFFAOYSA-N
XLogP0.34
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid (CID 81346730) is 6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid is CCc1[nH]c(=O)nc(C(=O)O)c1C.
What is the InChIKey of 6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is CLRUBHJVSSLKPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-3-5-4(2)6(7(11)12)10-8(13)9-5/h3H2,1-2H3,(H,11,12)(H,9,10,13).
What are the key properties of 6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid?
6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of 0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-2-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 81346730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).