3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

C9H10N2O4 — CID 175896714

IUPAC3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)n(C2CCC2)c1=O
InChIInChI=1S/C9H10N2O4/c12-7-6(8(13)14)4-10-9(15)11(7)5-2-1-3-5/h4-5H,1-3H2,(H,10,15)(H,13,14)
InChIKeyALMBROAVOCIAQI-UHFFFAOYSA-N
MW210.19 g/mol
LogP-0.04
Rot. Bonds2

About 3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid

3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (PubChem CID 175896714) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
PubChem CID175896714
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)n(C2CCC2)c1=O
InChIInChI=1S/C9H10N2O4/c12-7-6(8(13)14)4-10-9(15)11(7)5-2-1-3-5/h4-5H,1-3H2,(H,10,15)(H,13,14)
InChIKeyALMBROAVOCIAQI-UHFFFAOYSA-N
XLogP-0.04
TPSA92.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The IUPAC name of 3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid (CID 175896714) is 3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is O=C(O)c1c[nH]c(=O)n(C2CCC2)c1=O.
What is the InChIKey of 3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
The InChIKey is ALMBROAVOCIAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c12-7-6(8(13)14)4-10-9(15)11(7)5-2-1-3-5/h4-5H,1-3H2,(H,10,15)(H,13,14).
What are the key properties of 3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid?
3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2,4-dioxo-1H-pyrimidine-5-carboxylic acid is sourced from PubChem (CID 175896714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).