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

C9H10BrClN4O2 — CID 114583570

IUPAC5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESO=C1NCCN1CCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C9H10BrClN4O2/c10-6-7(11)13-5-15(8(6)16)4-3-14-2-1-12-9(14)17/h5H,1-4H2,(H,12,17)
InChIKeyWRMKAPGJASUODA-UHFFFAOYSA-N
MW321.56 g/mol
LogP0.68
Rot. Bonds3

About 5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one

5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (PubChem CID 114583570) has the molecular formula C9H10BrClN4O2 and a molecular weight of 321.56 g/mol. Its IUPAC name is 5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
PubChem CID114583570
Molecular FormulaC9H10BrClN4O2
Molecular Weight321.56 g/mol
Exact Mass319.97
IUPAC Name5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESO=C1NCCN1CCn1cnc(Cl)c(Br)c1=O
InChIInChI=1S/C9H10BrClN4O2/c10-6-7(11)13-5-15(8(6)16)4-3-14-2-1-12-9(14)17/h5H,1-4H2,(H,12,17)
InChIKeyWRMKAPGJASUODA-UHFFFAOYSA-N
XLogP0.68
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.56
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-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

6-Chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 114582280
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
2-(5-bromo-4-chloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 114583397
6-Chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
CID 114584000
N-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]acetamide
CID 136956103
5-bromo-4-(2-pyrrolidin-1-ylethylamino)-1H-pyrimidin-6-one
CID 136956545
5-bromo-4-[2-[ethyl(methyl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136956563
3-[2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]-1,1-dimethylurea
CID 136957069
5-bromo-4-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-1H-pyrimidin-6-one
CID 136957594
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-methylamino]-N-ethylacetamide
CID 136957643
2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)-ethylamino]-N-ethylacetamide
CID 136957697

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (CID 114583570) is 5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is O=C1NCCN1CCn1cnc(Cl)c(Br)c1=O.
What is the InChIKey of 5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The InChIKey is WRMKAPGJASUODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN4O2/c10-6-7(11)13-5-15(8(6)16)4-3-14-2-1-12-9(14)17/h5H,1-4H2,(H,12,17).
What are the key properties of 5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one has a molecular weight of 321.56 g/mol, XLogP of 0.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114583570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).