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

C10H14N2O3 — CID 81346036

IUPAC5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid
SMILESCCCc1[nH]c(=O)nc(C(=O)O)c1CC
InChIInChI=1S/C10H14N2O3/c1-3-5-7-6(4-2)8(9(13)14)12-10(15)11-7/h3-5H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyIKTOWNDHGNFEKD-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.98
Rot. Bonds4

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

5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid (PubChem CID 81346036) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid
PubChem CID81346036
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid
SMILESCCCc1[nH]c(=O)nc(C(=O)O)c1CC
InChIInChI=1S/C10H14N2O3/c1-3-5-7-6(4-2)8(9(13)14)12-10(15)11-7/h3-5H2,1-2H3,(H,13,14)(H,11,12,15)
InChIKeyIKTOWNDHGNFEKD-UHFFFAOYSA-N
XLogP0.98
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid (CID 81346036) is 5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid is CCCc1[nH]c(=O)nc(C(=O)O)c1CC.
What is the InChIKey of 5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid?
The InChIKey is IKTOWNDHGNFEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-3-5-7-6(4-2)8(9(13)14)12-10(15)11-7/h3-5H2,1-2H3,(H,13,14)(H,11,12,15).
What are the key properties of 5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid?
5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid has a molecular weight of 210.23 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 81346036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).