3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine

C13H10BrN3 — CID 146163534

IUPAC3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine
SMILESCc1ccn2c(Br)c(-c3ccccc3)nc2n1
InChIInChI=1S/C13H10BrN3/c1-9-7-8-17-12(14)11(16-13(17)15-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeySINBUTJNCYRRQF-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.47
Rot. Bonds1

About 3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine

3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine (PubChem CID 146163534) has the molecular formula C13H10BrN3 and a molecular weight of 288.15 g/mol. Its IUPAC name is 3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine
PubChem CID146163534
Molecular FormulaC13H10BrN3
Molecular Weight288.15 g/mol
Exact Mass287.01
IUPAC Name3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine
SMILESCc1ccn2c(Br)c(-c3ccccc3)nc2n1
InChIInChI=1S/C13H10BrN3/c1-9-7-8-17-12(14)11(16-13(17)15-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeySINBUTJNCYRRQF-UHFFFAOYSA-N
XLogP3.47
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(4-methylsulfinylphenyl)-3-phenylimidazo[1,2-a]pyrimidine
CID 69376905
(6-methyl-2-phenyl-3-pyridinyl)methanamine
CID 90247120
[1-[4-(3-bromo-2,6-diphenylimidazo[1,2-a]pyrimidin-7-yl)phenyl]cyclobutyl]carbamic acid
CID 66718791
9-(2,3-diphenylimidazo[1,2-a]pyrimidin-7-yl)-3,6-dimethylcarbazole
CID 159785437
7-methyl-3-(3-methyl-4-methylsulfanylphenyl)-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine
CID 69376587
3-bromo-2-phenylimidazo[1,2-a]pyridine-6-carbonitrile
CID 155934343
3-bromo-2-(4-fluorophenyl)imidazo[1,2-a]pyridine
CID 90241831
3-methyl-2-phenylimidazo[2,1-a]isoquinoline
CID 757851
3-bromo-7-methyl-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 82124477
6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
CID 113303380
2,10-dimethylazecine
CID 126659012
2-methyl-N-(7-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)-3-phenylcycloprop-2-ene-1-carboxamide
CID 134711597

Frequently Asked Questions

What is the IUPAC name of 3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine (CID 146163534) is 3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine is Cc1ccn2c(Br)c(-c3ccccc3)nc2n1.
What is the InChIKey of 3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is SINBUTJNCYRRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3/c1-9-7-8-17-12(14)11(16-13(17)15-9)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine?
3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 288.15 g/mol, XLogP of 3.47, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-7-methyl-2-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 146163534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).