2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one

C16H12BrN3O — CID 136764381

IUPAC2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(-c2ncccc2Br)[nH]c1=O
InChIInChI=1S/C16H12BrN3O/c1-10-13(11-6-3-2-4-7-11)19-15(20-16(10)21)14-12(17)8-5-9-18-14/h2-9H,1H3,(H,19,20,21)
InChIKeyAFYDCCNAJYAAOE-UHFFFAOYSA-N
MW342.20 g/mol
LogP3.57
Rot. Bonds2

About 2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one

2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136764381) has the molecular formula C16H12BrN3O and a molecular weight of 342.20 g/mol. Its IUPAC name is 2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID136764381
Molecular FormulaC16H12BrN3O
Molecular Weight342.20 g/mol
Exact Mass341.02
IUPAC Name2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(-c2ncccc2Br)[nH]c1=O
InChIInChI=1S/C16H12BrN3O/c1-10-13(11-6-3-2-4-7-11)19-15(20-16(10)21)14-12(17)8-5-9-18-14/h2-9H,1H3,(H,19,20,21)
InChIKeyAFYDCCNAJYAAOE-UHFFFAOYSA-N
XLogP3.57
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.20
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-6-phenyl-2-(3-pyridinyl)-5-pyrimidinecarbonitrile
CID 135463837
6-Methyl-2-(pyridin-2-yl)pyrimidin-4-ol
CID 135472985
Cyto8C5
CID 135435523
(E)-3-(5-bromo-2-fluorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 16251030
(2E)-N-(5-bromopyridin-2-yl)-3-phenylprop-2-enamide
CID 691129
3-Methyl-2-(3-phenylpropyl)-6-(4-pyridinyl)-4(3H)-pyrimidinone
CID 9817982
2-(6-Methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-N-pyridin-2-ylmethyl-acetamide
CID 9842688
N-[(4-fluorophenyl)methyl]-6-oxo-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 44230665
2-[3-(2-Bromophenyl)piperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 53628896
6-oxo-N-(2-phenylpropan-2-yl)-2-pyridin-2-yl-1H-pyrimidine-5-carboxamide
CID 57878370
5-(cyclopropylmethyl)-4-methyl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 135473110
2-(3-phenylpropyl)-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135494240

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one (CID 136764381) is 2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one is Cc1c(-c2ccccc2)nc(-c2ncccc2Br)[nH]c1=O.
What is the InChIKey of 2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is AFYDCCNAJYAAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3O/c1-10-13(11-6-3-2-4-7-11)19-15(20-16(10)21)14-12(17)8-5-9-18-14/h2-9H,1H3,(H,19,20,21).
What are the key properties of 2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one?
2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 342.20 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-pyridinyl)-5-methyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136764381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).