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

C17H13BrN2O — CID 170985957

IUPAC6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccccc2CBr)[nH]1
InChIInChI=1S/C17H13BrN2O/c18-11-13-8-4-5-9-14(13)16-10-15(19-17(21)20-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20,21)
InChIKeyJZMFZXROOXAKJV-UHFFFAOYSA-N
MW341.21 g/mol
LogP4.00
Rot. Bonds3

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

6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one (PubChem CID 170985957) has the molecular formula C17H13BrN2O and a molecular weight of 341.21 g/mol. Its IUPAC name is 6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one
PubChem CID170985957
Molecular FormulaC17H13BrN2O
Molecular Weight341.21 g/mol
Exact Mass340.02
IUPAC Name6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one
SMILESO=c1nc(-c2ccccc2)cc(-c2ccccc2CBr)[nH]1
InChIInChI=1S/C17H13BrN2O/c18-11-13-8-4-5-9-14(13)16-10-15(19-17(21)20-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20,21)
InChIKeyJZMFZXROOXAKJV-UHFFFAOYSA-N
XLogP4.00
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 54.00
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

4-phenyl-6-[2-(trifluoromethyl)phenyl]-1H-pyrimidin-2-one
CID 20626317
6-(4-chlorophenyl)-4-phenyl-1H-pyrimidin-2-one
CID 624641
ethane;4-(4-hydroxy-3-methylphenyl)-6-phenyl-1H-pyrimidin-2-one
CID 136595487
2,4-diphenyl-1H-pyrimidin-6-one
CID 135475560
4-phenyl-6-[(E)-2-phenylethenyl]-1H-pyrimidin-2-one
CID 22929240
4-(3-amino-1H-indazol-5-yl)-6-phenyl-1H-pyrimidin-2-one
CID 16661436
2,3-bis(bromomethyl)-6,8-diphenylbenzo[7]annulen-7-one
CID 71676426
5-(2-ethylphenyl)-3-[3-[5-(2-ethylphenyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529548
4,6-bis(4-nitrophenyl)-1H-pyrimidin-2-one
CID 630860
4-(4-methoxyphenyl)-6-[1-phenyl-3-(4-phenylmethoxyphenyl)pyrazol-4-yl]-1H-pyrimidin-2-one
CID 155811971
4-amino-6-(2-fluorophenyl)-1H-pyrimidin-2-one
CID 82077032
6-[4-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]phenyl]-4-phenyl-1H-pyrimidin-2-one
CID 167440252

Frequently Asked Questions

What is the IUPAC name of 6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one (CID 170985957) is 6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one is O=c1nc(-c2ccccc2)cc(-c2ccccc2CBr)[nH]1.
What is the InChIKey of 6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one?
The InChIKey is JZMFZXROOXAKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2O/c18-11-13-8-4-5-9-14(13)16-10-15(19-17(21)20-16)12-6-2-1-3-7-12/h1-10H,11H2,(H,19,20,21).
What are the key properties of 6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one?
6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one has a molecular weight of 341.21 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(bromomethyl)phenyl]-4-phenyl-1H-pyrimidin-2-one is sourced from PubChem (CID 170985957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).