3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

C14H13BrFN3O — CID 58122357

IUPAC3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCN1CCC(c2ccc(F)cc2)n2c1ncc(Br)c2=O
InChIInChI=1S/C14H13BrFN3O/c1-18-7-6-12(9-2-4-10(16)5-3-9)19-13(20)11(15)8-17-14(18)19/h2-5,8,12H,6-7H2,1H3
InChIKeyZPZJESCZVIDWGY-UHFFFAOYSA-N
MW338.18 g/mol
LogP2.57
Rot. Bonds1

About 3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one

3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 58122357) has the molecular formula C14H13BrFN3O and a molecular weight of 338.18 g/mol. Its IUPAC name is 3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
PubChem CID58122357
Molecular FormulaC14H13BrFN3O
Molecular Weight338.18 g/mol
Exact Mass337.02
IUPAC Name3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one
SMILESCN1CCC(c2ccc(F)cc2)n2c1ncc(Br)c2=O
InChIInChI=1S/C14H13BrFN3O/c1-18-7-6-12(9-2-4-10(16)5-3-9)19-13(20)11(15)8-17-14(18)19/h2-5,8,12H,6-7H2,1H3
InChIKeyZPZJESCZVIDWGY-UHFFFAOYSA-N
XLogP2.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.18
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one (CID 58122357) is 3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is CN1CCC(c2ccc(F)cc2)n2c1ncc(Br)c2=O.
What is the InChIKey of 3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is ZPZJESCZVIDWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O/c1-18-7-6-12(9-2-4-10(16)5-3-9)19-13(20)11(15)8-17-14(18)19/h2-5,8,12H,6-7H2,1H3.
What are the key properties of 3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one?
3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 338.18 g/mol, XLogP of 2.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-(4-fluorophenyl)-9-methyl-7,8-dihydro-6H-pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 58122357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).