5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one

C11H7Br2FN2O — CID 66309355

IUPAC5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1cc(Br)ccc1F
InChIInChI=1S/C11H7Br2FN2O/c12-8-1-2-10(14)7(3-8)5-16-6-15-4-9(13)11(16)17/h1-4,6H,5H2
InChIKeyQRVJTJVMZAOCHQ-UHFFFAOYSA-N
MW362.00 g/mol
LogP2.96
Rot. Bonds2

About 5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one

5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one (PubChem CID 66309355) has the molecular formula C11H7Br2FN2O and a molecular weight of 362.00 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one
PubChem CID66309355
Molecular FormulaC11H7Br2FN2O
Molecular Weight362.00 g/mol
Exact Mass359.89
IUPAC Name5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1Cc1cc(Br)ccc1F
InChIInChI=1S/C11H7Br2FN2O/c12-8-1-2-10(14)7(3-8)5-16-6-15-4-9(13)11(16)17/h1-4,6H,5H2
InChIKeyQRVJTJVMZAOCHQ-UHFFFAOYSA-N
XLogP2.96
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.00
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-[(5-chloro-2-fluorophenyl)methyl]pyrimidin-4-one
CID 102974911
5-bromo-3-[(2-fluorophenyl)methyl]pyrimidin-4-one
CID 66310417
5-bromo-3-[(4-chloro-2,6-difluorophenyl)methyl]pyrimidin-4-one
CID 68840357
4-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-3-fluorobenzonitrile
CID 66309151
4-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-3-fluorobenzamide
CID 66308705
4-[(5-bromo-2-fluorophenyl)methyl]-1H-1,2,4-triazol-5-one
CID 107410570
3-[(3-amino-2-fluorophenyl)methyl]-5-bromopyrimidin-4-one
CID 107347719
2-[(5-bromo-6-oxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile
CID 113257370
5-bromo-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 47214230
3-amino-1-[(5-bromo-2-fluorophenyl)methyl]pyridin-2-one
CID 55035567
5-bromo-3-[(3-chloro-4-pyridinyl)methyl]pyrimidin-4-one
CID 66310203
2-[2-[(5-bromo-6-oxopyrimidin-1-yl)methyl]phenyl]acetic acid
CID 115461232

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one (CID 66309355) is 5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one is O=c1c(Br)cncn1Cc1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one?
The InChIKey is QRVJTJVMZAOCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2FN2O/c12-8-1-2-10(14)7(3-8)5-16-6-15-4-9(13)11(16)17/h1-4,6H,5H2.
What are the key properties of 5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one?
5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one has a molecular weight of 362.00 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-bromo-2-fluorophenyl)methyl]pyrimidin-4-one is sourced from PubChem (CID 66309355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).