1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile

C14H16N4O3 — CID 38670791

IUPAC1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cn(C2CC2)c(=O)n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C14H16N4O3/c15-7-10-8-17(11-3-4-11)14(21)18(13(10)20)9-12(19)16-5-1-2-6-16/h8,11H,1-6,9H2
InChIKeyCZIQVAGELULAQH-UHFFFAOYSA-N
MW288.31 g/mol
LogP-0.16
Rot. Bonds3

About 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile

1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile (PubChem CID 38670791) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile
PubChem CID38670791
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile
SMILESN#Cc1cn(C2CC2)c(=O)n(CC(=O)N2CCCC2)c1=O
InChIInChI=1S/C14H16N4O3/c15-7-10-8-17(11-3-4-11)14(21)18(13(10)20)9-12(19)16-5-1-2-6-16/h8,11H,1-6,9H2
InChIKeyCZIQVAGELULAQH-UHFFFAOYSA-N
XLogP-0.16
TPSA88.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile?
The IUPAC name of 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile (CID 38670791) is 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile.
What is the SMILES notation for 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile?
The canonical SMILES for 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile is N#Cc1cn(C2CC2)c(=O)n(CC(=O)N2CCCC2)c1=O.
What is the InChIKey of 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile?
The InChIKey is CZIQVAGELULAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-7-10-8-17(11-3-4-11)14(21)18(13(10)20)9-12(19)16-5-1-2-6-16/h8,11H,1-6,9H2.
What are the key properties of 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile?
1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile has a molecular weight of 288.31 g/mol, XLogP of -0.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2,4-dioxo-3-(2-oxo-2-pyrrolidin-1-ylethyl)pyrimidine-5-carbonitrile is sourced from PubChem (CID 38670791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).