3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione

C11H17N3O2 — CID 107103922

IUPAC3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CCCN1CCCC1
InChIInChI=1S/C11H17N3O2/c15-10-4-5-12-11(16)14(10)9-3-8-13-6-1-2-7-13/h4-5H,1-3,6-9H2,(H,12,16)
InChIKeyDEWSKSZFAXJJPV-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.02
Rot. Bonds4

About 3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione

3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione (PubChem CID 107103922) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione
PubChem CID107103922
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc[nH]c(=O)n1CCCN1CCCC1
InChIInChI=1S/C11H17N3O2/c15-10-4-5-12-11(16)14(10)9-3-8-13-6-1-2-7-13/h4-5H,1-3,6-9H2,(H,12,16)
InChIKeyDEWSKSZFAXJJPV-UHFFFAOYSA-N
XLogP0.02
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione 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 3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione (CID 107103922) is 3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione is O=c1cc[nH]c(=O)n1CCCN1CCCC1.
What is the InChIKey of 3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione?
The InChIKey is DEWSKSZFAXJJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-10-4-5-12-11(16)14(10)9-3-8-13-6-1-2-7-13/h4-5H,1-3,6-9H2,(H,12,16).
What are the key properties of 3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione?
3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-pyrrolidin-1-ylpropyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 107103922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).