5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

C8H8N2O4 — CID 84666647

IUPAC5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1C1CC1
InChIInChI=1S/C8H8N2O4/c11-6-4(3-1-2-3)5(7(12)13)9-8(14)10-6/h3H,1-2H2,(H,12,13)(H2,9,10,11,14)
InChIKeyIYBWLOXQZVQWGR-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.36
Rot. Bonds2

About 5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid

5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (PubChem CID 84666647) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is 5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
PubChem CID84666647
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)[nH]c(=O)c1C1CC1
InChIInChI=1S/C8H8N2O4/c11-6-4(3-1-2-3)5(7(12)13)9-8(14)10-6/h3H,1-2H2,(H,12,13)(H2,9,10,11,14)
InChIKeyIYBWLOXQZVQWGR-UHFFFAOYSA-N
XLogP-0.36
TPSA103.02 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid (CID 84666647) is 5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is O=C(O)c1[nH]c(=O)[nH]c(=O)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
The InChIKey is IYBWLOXQZVQWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c11-6-4(3-1-2-3)5(7(12)13)9-8(14)10-6/h3H,1-2H2,(H,12,13)(H2,9,10,11,14).
What are the key properties of 5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid?
5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid has a molecular weight of 196.16 g/mol, XLogP of -0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2,4-dioxo-1H-pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84666647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).