6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine

C14H12BrN3 — CID 113303380

IUPAC6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
SMILESCCc1c(-c2ccccc2)nc2ncc(Br)cn12
InChIInChI=1S/C14H12BrN3/c1-2-12-13(10-6-4-3-5-7-10)17-14-16-8-11(15)9-18(12)14/h3-9H,2H2,1H3
InChIKeyNAWNUSJXRRPJOD-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.72
Rot. Bonds2

About 6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine

6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine (PubChem CID 113303380) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
PubChem CID113303380
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
SMILESCCc1c(-c2ccccc2)nc2ncc(Br)cn12
InChIInChI=1S/C14H12BrN3/c1-2-12-13(10-6-4-3-5-7-10)17-14-16-8-11(15)9-18(12)14/h3-9H,2H2,1H3
InChIKeyNAWNUSJXRRPJOD-UHFFFAOYSA-N
XLogP3.72
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine?
The IUPAC name of 6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine (CID 113303380) is 6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine is CCc1c(-c2ccccc2)nc2ncc(Br)cn12.
What is the InChIKey of 6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine?
The InChIKey is NAWNUSJXRRPJOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-2-12-13(10-6-4-3-5-7-10)17-14-16-8-11(15)9-18(12)14/h3-9H,2H2,1H3.
What are the key properties of 6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine?
6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine has a molecular weight of 302.18 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 113303380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).