4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid

C8H10N2O4 — CID 18970230

IUPAC4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid
SMILESO=C(O)CCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c11-6(12)3-1-2-5-4-9-8(14)10-7(5)13/h4H,1-3H2,(H,11,12)(H2,9,10,13,14)
InChIKeyFQSHCCAXQYGGDO-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.53
Rot. Bonds4

About 4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid

4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid (PubChem CID 18970230) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid
PubChem CID18970230
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid
SMILESO=C(O)CCCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c11-6(12)3-1-2-5-4-9-8(14)10-7(5)13/h4H,1-3H2,(H,11,12)(H2,9,10,13,14)
InChIKeyFQSHCCAXQYGGDO-UHFFFAOYSA-N
XLogP-0.53
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid?
The IUPAC name of 4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid (CID 18970230) is 4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid.
What is the SMILES notation for 4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid?
The canonical SMILES for 4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid is O=C(O)CCCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid?
The InChIKey is FQSHCCAXQYGGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c11-6(12)3-1-2-5-4-9-8(14)10-7(5)13/h4H,1-3H2,(H,11,12)(H2,9,10,13,14).
What are the key properties of 4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid?
4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.53, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-pyrimidin-5-yl)butanoic acid is sourced from PubChem (CID 18970230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).