6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine

C13H10BrN3S — CID 115404681

IUPAC6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine
SMILESCSc1ccc(-c2cn3cc(Br)cnc3n2)cc1
InChIInChI=1S/C13H10BrN3S/c1-18-11-4-2-9(3-5-11)12-8-17-7-10(14)6-15-13(17)16-12/h2-8H,1H3
InChIKeyRQTRGUMZMORZSL-UHFFFAOYSA-N
MW320.22 g/mol
LogP3.88
Rot. Bonds2

About 6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine

6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 115404681) has the molecular formula C13H10BrN3S and a molecular weight of 320.22 g/mol. Its IUPAC name is 6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine
PubChem CID115404681
Molecular FormulaC13H10BrN3S
Molecular Weight320.22 g/mol
Exact Mass318.98
IUPAC Name6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine
SMILESCSc1ccc(-c2cn3cc(Br)cnc3n2)cc1
InChIInChI=1S/C13H10BrN3S/c1-18-11-4-2-9(3-5-11)12-8-17-7-10(14)6-15-13(17)16-12/h2-8H,1H3
InChIKeyRQTRGUMZMORZSL-UHFFFAOYSA-N
XLogP3.88
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-(6-bromoimidazo[1,2-a]pyrimidin-2-yl)benzoate
CID 45158634
6-bromo-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrimidine
CID 115404629
6-bromo-7-methyl-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 115404929
6-bromo-2-(1H-pyrrol-2-yl)imidazo[1,2-a]pyrimidine
CID 115404646
6-bromo-2-(4-methoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine
CID 83779639
6-bromo-2-propylimidazo[1,2-a]pyrimidine
CID 115404624
2-(4-methylphenyl)-6-methylsulfanylimidazo[1,2-a]pyridine
CID 15179822
6-chloro-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyridine
CID 78910138
6-(3,5-difluorophenyl)-2-(4-fluorophenyl)imidazo[1,2-a]pyrimidine
CID 69411832
2-(4-bromophenyl)-4-(4-methylsulfanylphenyl)-1,3-thiazole
CID 78907479
2-(3,4-dimethylphenyl)-6-methylimidazo[1,2-a]pyrimidine
CID 177180602
2-bromo-6-(4-methylsulfanylphenyl)imidazo[2,1-b][1,3,4]thiadiazole;2,2-dimethylpropane
CID 145380200

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine (CID 115404681) is 6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine is CSc1ccc(-c2cn3cc(Br)cnc3n2)cc1.
What is the InChIKey of 6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is RQTRGUMZMORZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3S/c1-18-11-4-2-9(3-5-11)12-8-17-7-10(14)6-15-13(17)16-12/h2-8H,1H3.
What are the key properties of 6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine?
6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 320.22 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 115404681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).