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

C9H10ClIN4O2 — CID 114584000

IUPAC6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESO=C1NCCN1CCn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C9H10ClIN4O2/c10-7-6(11)8(16)15(5-13-7)4-3-14-2-1-12-9(14)17/h5H,1-4H2,(H,12,17)
InChIKeyLSFAFWNMTYSTMU-UHFFFAOYSA-N
MW368.56 g/mol
LogP0.53
Rot. Bonds3

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

6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (PubChem CID 114584000) has the molecular formula C9H10ClIN4O2 and a molecular weight of 368.56 g/mol. Its IUPAC name is 6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
PubChem CID114584000
Molecular FormulaC9H10ClIN4O2
Molecular Weight368.56 g/mol
Exact Mass367.95
IUPAC Name6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESO=C1NCCN1CCn1cnc(Cl)c(I)c1=O
InChIInChI=1S/C9H10ClIN4O2/c10-7-6(11)8(16)15(5-13-7)4-3-14-2-1-12-9(14)17/h5H,1-4H2,(H,12,17)
InChIKeyLSFAFWNMTYSTMU-UHFFFAOYSA-N
XLogP0.53
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.56
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (CID 114584000) is 6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is O=C1NCCN1CCn1cnc(Cl)c(I)c1=O.
What is the InChIKey of 6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The InChIKey is LSFAFWNMTYSTMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClIN4O2/c10-7-6(11)8(16)15(5-13-7)4-3-14-2-1-12-9(14)17/h5H,1-4H2,(H,12,17).
What are the key properties of 6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one has a molecular weight of 368.56 g/mol, XLogP of 0.53, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-iodo-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114584000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).