4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one

C11H9BrN2O — CID 136704226

IUPAC4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(CBr)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H9BrN2O/c12-7-9-6-10(15)14-11(13-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15)
InChIKeyWCEDGMRLWLPPNF-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.33
Rot. Bonds2

About 4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one

4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 136704226) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID136704226
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one
SMILESO=c1cc(CBr)nc(-c2ccccc2)[nH]1
InChIInChI=1S/C11H9BrN2O/c12-7-9-6-10(15)14-11(13-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15)
InChIKeyWCEDGMRLWLPPNF-UHFFFAOYSA-N
XLogP2.33
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-phenyl-4-pyrimidinol
CID 135443077
6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
2-Phenylpyrimidine-4,6-diol
CID 241011
2-Phenylpyrimidin-4-ol
CID 259156
5,6-Diamino-2-phenylpyrimidin-4(3H)-one
CID 135401368
Mls000766271
CID 135431331
5-Methyl-2,6-diphenyl-4-pyrimidinol
CID 135401354
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2,6-diphenyl-5-pyrimidinecarbonitrile
CID 135409737
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one (CID 136704226) is 4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one is O=c1cc(CBr)nc(-c2ccccc2)[nH]1.
What is the InChIKey of 4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is WCEDGMRLWLPPNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c12-7-9-6-10(15)14-11(13-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14,15).
What are the key properties of 4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one?
4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 265.11 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136704226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).