6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one

C9H11ClN4O2 — CID 114582280

IUPAC6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESO=C1NCCN1CCn1cnc(Cl)cc1=O
InChIInChI=1S/C9H11ClN4O2/c10-7-5-8(15)14(6-12-7)4-3-13-2-1-11-9(13)16/h5-6H,1-4H2,(H,11,16)
InChIKeyJFKHBVUBKNXRFR-UHFFFAOYSA-N
MW242.67 g/mol
LogP-0.08
Rot. Bonds3

About 6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one

6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (PubChem CID 114582280) has the molecular formula C9H11ClN4O2 and a molecular weight of 242.67 g/mol. Its IUPAC name is 6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
PubChem CID114582280
Molecular FormulaC9H11ClN4O2
Molecular Weight242.67 g/mol
Exact Mass242.06
IUPAC Name6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESO=C1NCCN1CCn1cnc(Cl)cc1=O
InChIInChI=1S/C9H11ClN4O2/c10-7-5-8(15)14(6-12-7)4-3-13-2-1-11-9(13)16/h5-6H,1-4H2,(H,11,16)
InChIKeyJFKHBVUBKNXRFR-UHFFFAOYSA-N
XLogP-0.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.67
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

7-chloro-2-methyl-2,3-dihydro-1H-imidazo[1,2-a]pyrimidin-5-one
CID 144115877
imidazolidin-2-one;1H-pyrimidin-6-one
CID 175328967
6-Chloro-2-methyl-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 114581849
2-(4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 114582100
5-Amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 114582716
5,6-Dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 114583144
5-Bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 114583570
6-Chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 114584000
6-(3-Aminopyrrolidin-1-yl)-3,4-dihydropyrimidin-4-one hydrochloride
CID 136562356
N-ethyl-N-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136870166
7-amino-1H,2H,3H,5H-imidazo[1,2-a]pyrimidin-5-one
CID 136923867
N-[2-[(6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956104

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (CID 114582280) is 6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is O=C1NCCN1CCn1cnc(Cl)cc1=O.
What is the InChIKey of 6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The InChIKey is JFKHBVUBKNXRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O2/c10-7-5-8(15)14(6-12-7)4-3-13-2-1-11-9(13)16/h5-6H,1-4H2,(H,11,16).
What are the key properties of 6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one has a molecular weight of 242.67 g/mol, XLogP of -0.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).