6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine

C19H22BrN3O — CID 83779586

IUPAC6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(C(C)(C)C)cc1-c1cn2c(C)c(Br)c(C)nc2n1
InChIInChI=1S/C19H22BrN3O/c1-11-17(20)12(2)23-10-15(22-18(23)21-11)14-9-13(19(3,4)5)7-8-16(14)24-6/h7-10H,1-6H3
InChIKeyXJNYLLYYBHYBER-UHFFFAOYSA-N
MW388.31 g/mol
LogP5.08
Rot. Bonds2

About 6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine

6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine (PubChem CID 83779586) has the molecular formula C19H22BrN3O and a molecular weight of 388.31 g/mol. Its IUPAC name is 6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
PubChem CID83779586
Molecular FormulaC19H22BrN3O
Molecular Weight388.31 g/mol
Exact Mass387.09
IUPAC Name6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine
SMILESCOc1ccc(C(C)(C)C)cc1-c1cn2c(C)c(Br)c(C)nc2n1
InChIInChI=1S/C19H22BrN3O/c1-11-17(20)12(2)23-10-15(22-18(23)21-11)14-9-13(19(3,4)5)7-8-16(14)24-6/h7-10H,1-6H3
InChIKeyXJNYLLYYBHYBER-UHFFFAOYSA-N
XLogP5.08
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.31
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-(5-tert-butyl-2-methoxyphenyl)-1,3-thiazole
CID 116892178
6-(5-tert-butyl-2-methoxyphenyl)pyrimidin-4-amine
CID 82300014
2-(5-tert-butyl-2-methoxyphenyl)-5-fluoropyridine
CID 90122592
4-(5-tert-butyl-2-methoxyphenyl)aniline
CID 83655480
2-(2,5-dimethoxyphenyl)-5-methylimidazo[1,2-a]pyridin-6-amine
CID 82060125
6-(6-bromo-5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)-3H-1,3-benzoxazol-2-one
CID 83779516
4-(5-tert-butyl-2-methylphenyl)imidazole-1,2-diamine
CID 82294442
6-(4-tert-butylphenyl)-3-methoxypyridin-2-amine
CID 82556285
4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine
CID 82118685
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
2-(5-tert-butyl-2-methoxyphenyl)-6-methylindolizine-3-carbaldehyde
CID 3696407
2-[3-(5-tert-butyl-2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]ethanamine
CID 96669762

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The IUPAC name of 6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine (CID 83779586) is 6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine is COc1ccc(C(C)(C)C)cc1-c1cn2c(C)c(Br)c(C)nc2n1.
What is the InChIKey of 6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
The InChIKey is XJNYLLYYBHYBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN3O/c1-11-17(20)12(2)23-10-15(22-18(23)21-11)14-9-13(19(3,4)5)7-8-16(14)24-6/h7-10H,1-6H3.
What are the key properties of 6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine?
6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine has a molecular weight of 388.31 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-tert-butyl-2-methoxyphenyl)-5,7-dimethylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 83779586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).