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

C13H10BrN3O — CID 3519224

IUPAC6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2cn3cc(Br)cnc3n2)cc1
InChIInChI=1S/C13H10BrN3O/c1-18-11-4-2-9(3-5-11)12-8-17-7-10(14)6-15-13(17)16-12/h2-8H,1H3
InChIKeyDOTNPORCTHAWSP-UHFFFAOYSA-N
MW304.15 g/mol
LogP3.17
Rot. Bonds2

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

6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine (PubChem CID 3519224) has the molecular formula C13H10BrN3O and a molecular weight of 304.15 g/mol. Its IUPAC name is 6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
PubChem CID3519224
Molecular FormulaC13H10BrN3O
Molecular Weight304.15 g/mol
Exact Mass303.00
IUPAC Name6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine
SMILESCOc1ccc(-c2cn3cc(Br)cnc3n2)cc1
InChIInChI=1S/C13H10BrN3O/c1-18-11-4-2-9(3-5-11)12-8-17-7-10(14)6-15-13(17)16-12/h2-8H,1H3
InChIKeyDOTNPORCTHAWSP-UHFFFAOYSA-N
XLogP3.17
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine (CID 3519224) is 6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine is COc1ccc(-c2cn3cc(Br)cnc3n2)cc1.
What is the InChIKey of 6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine?
The InChIKey is DOTNPORCTHAWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrN3O/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-methoxyphenyl)imidazo[1,2-a]pyrimidine?
6-bromo-2-(4-methoxyphenyl)imidazo[1,2-a]pyrimidine has a molecular weight of 304.15 g/mol, XLogP of 3.17, 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-methoxyphenyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 3519224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).