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

C9H12ClN5O2 — CID 114582716

IUPAC5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCN2CCNC2=O)c1=O
InChIInChI=1S/C9H12ClN5O2/c10-7-6(11)8(16)15(5-13-7)4-3-14-2-1-12-9(14)17/h5H,1-4,11H2,(H,12,17)
InChIKeyQBUAMHMAZNUYLN-UHFFFAOYSA-N
MW257.68 g/mol
LogP-0.50
Rot. Bonds3

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

5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (PubChem CID 114582716) has the molecular formula C9H12ClN5O2 and a molecular weight of 257.68 g/mol. Its IUPAC name is 5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
PubChem CID114582716
Molecular FormulaC9H12ClN5O2
Molecular Weight257.68 g/mol
Exact Mass257.07
IUPAC Name5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one
SMILESNc1c(Cl)ncn(CCN2CCNC2=O)c1=O
InChIInChI=1S/C9H12ClN5O2/c10-7-6(11)8(16)15(5-13-7)4-3-14-2-1-12-9(14)17/h5H,1-4,11H2,(H,12,17)
InChIKeyQBUAMHMAZNUYLN-UHFFFAOYSA-N
XLogP-0.50
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The IUPAC name of 5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one (CID 114582716) is 5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is Nc1c(Cl)ncn(CCN2CCNC2=O)c1=O.
What is the InChIKey of 5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
The InChIKey is QBUAMHMAZNUYLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5O2/c10-7-6(11)8(16)15(5-13-7)4-3-14-2-1-12-9(14)17/h5H,1-4,11H2,(H,12,17).
What are the key properties of 5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one?
5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one has a molecular weight of 257.68 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-chloro-3-[2-(2-oxoimidazolidin-1-yl)ethyl]pyrimidin-4-one is sourced from PubChem (CID 114582716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).