2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

C13H12BrFN2O2 — CID 66424415

IUPAC2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2cc(F)cc(Br)c2)[nH]c1=O
InChIInChI=1S/C13H12BrFN2O2/c1-2-3-10-12(18)16-11(17-13(10)19)7-4-8(14)6-9(15)5-7/h4-6H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyMKJLTEWDZHBKMF-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one

2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (PubChem CID 66424415) has the molecular formula C13H12BrFN2O2 and a molecular weight of 327.15 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
PubChem CID66424415
Molecular FormulaC13H12BrFN2O2
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC Name2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
SMILESCCCc1c(O)nc(-c2cc(F)cc(Br)c2)[nH]c1=O
InChIInChI=1S/C13H12BrFN2O2/c1-2-3-10-12(18)16-11(17-13(10)19)7-4-8(14)6-9(15)5-7/h4-6H,2-3H2,1H3,(H2,16,17,18,19)
InChIKeyMKJLTEWDZHBKMF-UHFFFAOYSA-N
XLogP3.00
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one (CID 66424415) is 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is CCCc1c(O)nc(-c2cc(F)cc(Br)c2)[nH]c1=O.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
The InChIKey is MKJLTEWDZHBKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN2O2/c1-2-3-10-12(18)16-11(17-13(10)19)7-4-8(14)6-9(15)5-7/h4-6H,2-3H2,1H3,(H2,16,17,18,19).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one?
2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one has a molecular weight of 327.15 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one is sourced from PubChem (CID 66424415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).