1-butyl-2,4-dioxopyrimidine-5-carboxylic acid

C9H12N2O4 — CID 20540620

IUPAC1-butyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCCCCn1cc(C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-2-3-4-11-5-6(8(13)14)7(12)10-9(11)15/h5H,2-4H2,1H3,(H,13,14)(H,10,12,15)
InChIKeyVOFGBKGARCZDGP-UHFFFAOYSA-N
MW212.20 g/mol
LogP0.03
Rot. Bonds4

About 1-butyl-2,4-dioxopyrimidine-5-carboxylic acid

1-butyl-2,4-dioxopyrimidine-5-carboxylic acid (PubChem CID 20540620) has the molecular formula C9H12N2O4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 1-butyl-2,4-dioxopyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name1-butyl-2,4-dioxopyrimidine-5-carboxylic acid
PubChem CID20540620
Molecular FormulaC9H12N2O4
Molecular Weight212.20 g/mol
Exact Mass212.08
IUPAC Name1-butyl-2,4-dioxopyrimidine-5-carboxylic acid
SMILESCCCCn1cc(C(=O)O)c(=O)[nH]c1=O
InChIInChI=1S/C9H12N2O4/c1-2-3-4-11-5-6(8(13)14)7(12)10-9(11)15/h5H,2-4H2,1H3,(H,13,14)(H,10,12,15)
InChIKeyVOFGBKGARCZDGP-UHFFFAOYSA-N
XLogP0.03
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2,4-dioxopyrimidine-5-carboxylic acid?
The IUPAC name of 1-butyl-2,4-dioxopyrimidine-5-carboxylic acid (CID 20540620) is 1-butyl-2,4-dioxopyrimidine-5-carboxylic acid.
What is the SMILES notation for 1-butyl-2,4-dioxopyrimidine-5-carboxylic acid?
The canonical SMILES for 1-butyl-2,4-dioxopyrimidine-5-carboxylic acid is CCCCn1cc(C(=O)O)c(=O)[nH]c1=O.
What is the InChIKey of 1-butyl-2,4-dioxopyrimidine-5-carboxylic acid?
The InChIKey is VOFGBKGARCZDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-2-3-4-11-5-6(8(13)14)7(12)10-9(11)15/h5H,2-4H2,1H3,(H,13,14)(H,10,12,15).
What are the key properties of 1-butyl-2,4-dioxopyrimidine-5-carboxylic acid?
1-butyl-2,4-dioxopyrimidine-5-carboxylic acid has a molecular weight of 212.20 g/mol, XLogP of 0.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2,4-dioxopyrimidine-5-carboxylic acid is sourced from PubChem (CID 20540620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).