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

C9H10Cl2N4O2 — CID 114583144

IUPAC5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESO=C1NCCN1CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H10Cl2N4O2/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)
InChIKeyQEXGFGFDKXWPEK-UHFFFAOYSA-N
MW277.11 g/mol
LogP0.58
Rot. Bonds3

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

5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (PubChem CID 114583144) has the molecular formula C9H10Cl2N4O2 and a molecular weight of 277.11 g/mol. Its IUPAC name is 5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
PubChem CID114583144
Molecular FormulaC9H10Cl2N4O2
Molecular Weight277.11 g/mol
Exact Mass276.02
IUPAC Name5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESO=C1NCCN1CCn1cnc(Cl)c(Cl)c1=O
InChIInChI=1S/C9H10Cl2N4O2/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)
InChIKeyQEXGFGFDKXWPEK-UHFFFAOYSA-N
XLogP0.58
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.11
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-6-(4,5-dihydroimidazol-1-ylmethyl)-1H-pyrimidine-2,4-dione;hydrochloride
CID 21699320
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
2-(4,5-dichloro-6-oxopyrimidin-1-yl)-N-ethylacetamide
CID 114582969
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
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-ethylamino]acetamide
CID 136713546
2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-N-ethyl-N-methylacetamide
CID 136915075
5-chloro-4-[2-[ethyl(propyl)amino]ethylamino]-1H-pyrimidin-6-one
CID 136915083
5-chloro-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136958149
2-[(2-amino-2-oxoethyl)-(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]acetamide
CID 136971259
5-chloro-4-[methyl-[2-(methylamino)ethyl]amino]-1H-pyrimidin-6-one
CID 136973405

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (CID 114583144) is 5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is O=C1NCCN1CCn1cnc(Cl)c(Cl)c1=O.
What is the InChIKey of 5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The InChIKey is QEXGFGFDKXWPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N4O2/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 5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one has a molecular weight of 277.11 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114583144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).