5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one

C9H9BrN4O — CID 137008874

IUPAC5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nccn1-c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H9BrN4O/c1-2-6-11-3-4-14(6)8-7(10)9(15)13-5-12-8/h3-5H,2H2,1H3,(H,12,13,15)
InChIKeyPSYPDXHTVBZPDQ-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.28
Rot. Bonds2

About 5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one

5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one (PubChem CID 137008874) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one
PubChem CID137008874
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one
SMILESCCc1nccn1-c1nc[nH]c(=O)c1Br
InChIInChI=1S/C9H9BrN4O/c1-2-6-11-3-4-14(6)8-7(10)9(15)13-5-12-8/h3-5H,2H2,1H3,(H,12,13,15)
InChIKeyPSYPDXHTVBZPDQ-UHFFFAOYSA-N
XLogP1.28
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one (CID 137008874) is 5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one is CCc1nccn1-c1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one?
The InChIKey is PSYPDXHTVBZPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-2-6-11-3-4-14(6)8-7(10)9(15)13-5-12-8/h3-5H,2H2,1H3,(H,12,13,15).
What are the key properties of 5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one?
5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one has a molecular weight of 269.10 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-ethylimidazol-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137008874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).