2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid

C14H19N3O3 — CID 165411517

IUPAC2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)n(CCN2CCCC2)c(C2CC2)n1
InChIInChI=1S/C14H19N3O3/c18-12-9-11(14(19)20)15-13(10-3-4-10)17(12)8-7-16-5-1-2-6-16/h9-10H,1-8H2,(H,19,20)
InChIKeyREIAAFUDVVBOFM-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.91
Rot. Bonds5

About 2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid

2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid (PubChem CID 165411517) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid
PubChem CID165411517
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(=O)n(CCN2CCCC2)c(C2CC2)n1
InChIInChI=1S/C14H19N3O3/c18-12-9-11(14(19)20)15-13(10-3-4-10)17(12)8-7-16-5-1-2-6-16/h9-10H,1-8H2,(H,19,20)
InChIKeyREIAAFUDVVBOFM-UHFFFAOYSA-N
XLogP0.91
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid (CID 165411517) is 2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid is O=C(O)c1cc(=O)n(CCN2CCCC2)c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid?
The InChIKey is REIAAFUDVVBOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-12-9-11(14(19)20)15-13(10-3-4-10)17(12)8-7-16-5-1-2-6-16/h9-10H,1-8H2,(H,19,20).
What are the key properties of 2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid?
2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid has a molecular weight of 277.32 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-oxo-1-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 165411517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).