5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one

C13H12Br2N2O — CID 136704232

IUPAC5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCCC(Br)c1nc(-c2ccccc2)[nH]c(=O)c1Br
InChIInChI=1S/C13H12Br2N2O/c1-2-9(14)11-10(15)13(18)17-12(16-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,16,17,18)
InChIKeyFCDALCDVIDEJJD-UHFFFAOYSA-N
MW372.06 g/mol
LogP4.05
Rot. Bonds3

About 5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one

5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one (PubChem CID 136704232) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is 5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one
PubChem CID136704232
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC Name5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one
SMILESCCC(Br)c1nc(-c2ccccc2)[nH]c(=O)c1Br
InChIInChI=1S/C13H12Br2N2O/c1-2-9(14)11-10(15)13(18)17-12(16-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,16,17,18)
InChIKeyFCDALCDVIDEJJD-UHFFFAOYSA-N
XLogP4.05
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 54.05
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

5-bromo-2-(1-ethylpyrazol-4-yl)-4-phenyl-1H-pyrimidin-6-one
CID 136677135
4,6-diphenyl-1H-1,3,5-triazin-2-one
CID 135427225
5-bromo-2-(3-bromo-2-pyridinyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136999475
5-bromo-2-(4-phenylphenyl)-1H-pyrimidin-6-one
CID 66312577
5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136889677
5-bromo-2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136730198
5-methyl-2-phenyl-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 135753934
5-methyl-4-phenyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 136764386
2-(4-bromophenyl)-4-hydroxy-5-phenyl-1H-pyrimidin-6-one
CID 10807290
2-methyl-N-[4-(4-oxo-3H-quinazolin-2-yl)phenyl]butanamide
CID 142520450
5-hydroxy-4-(hydroxymethyl)-2-phenyl-1H-pyrimidin-6-one
CID 135740432
5,6,7,8-tetrafluoro-2-phenyl-3H-quinazolin-4-one
CID 136864383

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one (CID 136704232) is 5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one is CCC(Br)c1nc(-c2ccccc2)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one?
The InChIKey is FCDALCDVIDEJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c1-2-9(14)11-10(15)13(18)17-12(16-11)8-6-4-3-5-7-8/h3-7,9H,2H2,1H3,(H,16,17,18).
What are the key properties of 5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one?
5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one has a molecular weight of 372.06 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(1-bromopropyl)-2-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136704232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).