4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid

C10H14N2O3 — CID 136930806

IUPAC4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid
SMILESCCc1cc(=O)[nH]c(CCCC(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-2-7-6-9(13)12-8(11-7)4-3-5-10(14)15/h6H,2-5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyQXBPIJGKBLRGCU-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.74
Rot. Bonds5

About 4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid

4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid (PubChem CID 136930806) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is 4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid.

Molecular Properties

Compound Name4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid
PubChem CID136930806
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid
SMILESCCc1cc(=O)[nH]c(CCCC(=O)O)n1
InChIInChI=1S/C10H14N2O3/c1-2-7-6-9(13)12-8(11-7)4-3-5-10(14)15/h6H,2-5H2,1H3,(H,14,15)(H,11,12,13)
InChIKeyQXBPIJGKBLRGCU-UHFFFAOYSA-N
XLogP0.74
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
The IUPAC name of 4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid (CID 136930806) is 4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid.
What is the SMILES notation for 4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
The canonical SMILES for 4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid is CCc1cc(=O)[nH]c(CCCC(=O)O)n1.
What is the InChIKey of 4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
The InChIKey is QXBPIJGKBLRGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-2-7-6-9(13)12-8(11-7)4-3-5-10(14)15/h6H,2-5H2,1H3,(H,14,15)(H,11,12,13).
What are the key properties of 4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid?
4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid has a molecular weight of 210.23 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)butanoic acid is sourced from PubChem (CID 136930806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).