3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C13H13BrFN3O — CID 136995360

IUPAC3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2nc3n(c2Br)CCCN3)cc1F
InChIInChI=1S/C13H13BrFN3O/c1-19-10-4-3-8(7-9(10)15)11-12(14)18-6-2-5-16-13(18)17-11/h3-4,7H,2,5-6H2,1H3,(H,16,17)
InChIKeyQSKXVTKPAWPZPP-UHFFFAOYSA-N
MW326.17 g/mol
LogP3.28
Rot. Bonds2

About 3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136995360) has the molecular formula C13H13BrFN3O and a molecular weight of 326.17 g/mol. Its IUPAC name is 3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136995360
Molecular FormulaC13H13BrFN3O
Molecular Weight326.17 g/mol
Exact Mass325.02
IUPAC Name3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2nc3n(c2Br)CCCN3)cc1F
InChIInChI=1S/C13H13BrFN3O/c1-19-10-4-3-8(7-9(10)15)11-12(14)18-6-2-5-16-13(18)17-11/h3-4,7H,2,5-6H2,1H3,(H,16,17)
InChIKeyQSKXVTKPAWPZPP-UHFFFAOYSA-N
XLogP3.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.17
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136995360) is 3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is COc1ccc(-c2nc3n(c2Br)CCCN3)cc1F.
What is the InChIKey of 3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is QSKXVTKPAWPZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3O/c1-19-10-4-3-8(7-9(10)15)11-12(14)18-6-2-5-16-13(18)17-11/h3-4,7H,2,5-6H2,1H3,(H,16,17).
What are the key properties of 3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 326.17 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3-fluoro-4-methoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136995360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).