3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid

C13H18N2O4 — CID 146432356

IUPAC3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)n(C2CCCC2)c1=O
InChIInChI=1S/C13H18N2O4/c1-8(2)14-7-10(12(17)18)11(16)15(13(14)19)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyUSKVUSGHVOWFBV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.40
Rot. Bonds3

About 3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid

3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid (PubChem CID 146432356) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid
PubChem CID146432356
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid
SMILESCC(C)n1cc(C(=O)O)c(=O)n(C2CCCC2)c1=O
InChIInChI=1S/C13H18N2O4/c1-8(2)14-7-10(12(17)18)11(16)15(13(14)19)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,17,18)
InChIKeyUSKVUSGHVOWFBV-UHFFFAOYSA-N
XLogP1.40
TPSA81.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid (CID 146432356) is 3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid is CC(C)n1cc(C(=O)O)c(=O)n(C2CCCC2)c1=O.
What is the InChIKey of 3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is USKVUSGHVOWFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)14-7-10(12(17)18)11(16)15(13(14)19)9-5-3-4-6-9/h7-9H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid?
3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 146432356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).