2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

C13H12BrFN2O2 — CID 107281016

IUPAC2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(-c2ccc(F)cc2Br)[nH]c1=O
InChIInChI=1S/C13H12BrFN2O2/c1-6(2)10-12(18)16-11(17-13(10)19)8-4-3-7(15)5-9(8)14/h3-6H,1-2H3,(H2,16,17,18,19)
InChIKeyBYZDAONQHCQFPJ-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.17
Rot. Bonds2

About 2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one

2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 107281016) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID107281016
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1c(O)nc(-c2ccc(F)cc2Br)[nH]c1=O
InChIInChI=1S/C13H12BrFN2O2/c1-6(2)10-12(18)16-11(17-13(10)19)8-4-3-7(15)5-9(8)14/h3-6H,1-2H3,(H2,16,17,18,19)
InChIKeyBYZDAONQHCQFPJ-UHFFFAOYSA-N
XLogP3.17
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 107281013
2-(2,5-dimethylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613309
4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 137004922
2-(3-bromo-4-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 115565726
2-(2,4-dimethoxyphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 63611623
2-(4-fluoro-3-methylphenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 55216829
4-amino-2-(2-bromo-4-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136827863
2-[(4-fluorophenyl)methylsulfanyl]-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one
CID 705087
4-hydroxy-2-(3-methylphenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 55217017
4-hydroxy-2-(2-nitrophenyl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 63613808
4-hydroxy-5-propan-2-yl-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 63612290
4-hydroxy-2-methylsulfanyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 68849980

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one (CID 107281016) is 2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1c(O)nc(-c2ccc(F)cc2Br)[nH]c1=O.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BYZDAONQHCQFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-6(2)10-12(18)16-11(17-13(10)19)8-4-3-7(15)5-9(8)14/h3-6H,1-2H3,(H2,16,17,18,19).
What are the key properties of 2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one?
2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 327.15 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-4-hydroxy-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 107281016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).