4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one

C11H9BrFN3O — CID 137004922

IUPAC4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(N)nc(-c2ccc(F)cc2Br)[nH]c1=O
InChIInChI=1S/C11H9BrFN3O/c1-5-9(14)15-10(16-11(5)17)7-3-2-6(13)4-8(7)12/h2-4H,1H3,(H3,14,15,16,17)
InChIKeyOVJRUHSWLSIGTQ-UHFFFAOYSA-N
MW298.12 g/mol
LogP2.23
Rot. Bonds1

About 4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one

4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one (PubChem CID 137004922) has the molecular formula C11H9BrFN3O and a molecular weight of 298.12 g/mol. Its IUPAC name is 4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
PubChem CID137004922
Molecular FormulaC11H9BrFN3O
Molecular Weight298.12 g/mol
Exact Mass296.99
IUPAC Name4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(N)nc(-c2ccc(F)cc2Br)[nH]c1=O
InChIInChI=1S/C11H9BrFN3O/c1-5-9(14)15-10(16-11(5)17)7-3-2-6(13)4-8(7)12/h2-4H,1H3,(H3,14,15,16,17)
InChIKeyOVJRUHSWLSIGTQ-UHFFFAOYSA-N
XLogP2.23
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one (CID 137004922) is 4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one is Cc1c(N)nc(-c2ccc(F)cc2Br)[nH]c1=O.
What is the InChIKey of 4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is OVJRUHSWLSIGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrFN3O/c1-5-9(14)15-10(16-11(5)17)7-3-2-6(13)4-8(7)12/h2-4H,1H3,(H3,14,15,16,17).
What are the key properties of 4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one?
4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 298.12 g/mol, XLogP of 2.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137004922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).