6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine

C12H14BrN3 — CID 156532874

IUPAC6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
SMILESCC(C)c1cn2cc(Br)c(C3CC3)nc2n1
InChIInChI=1S/C12H14BrN3/c1-7(2)10-6-16-5-9(13)11(8-3-4-8)15-12(16)14-10/h5-8H,3-4H2,1-2H3
InChIKeyBAQUZTWOGGUWKK-UHFFFAOYSA-N
MW280.17 g/mol
LogP3.49
Rot. Bonds2

About 6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine

6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine (PubChem CID 156532874) has the molecular formula C12H14BrN3 and a molecular weight of 280.17 g/mol. Its IUPAC name is 6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
PubChem CID156532874
Molecular FormulaC12H14BrN3
Molecular Weight280.17 g/mol
Exact Mass279.04
IUPAC Name6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine
SMILESCC(C)c1cn2cc(Br)c(C3CC3)nc2n1
InChIInChI=1S/C12H14BrN3/c1-7(2)10-6-16-5-9(13)11(8-3-4-8)15-12(16)14-10/h5-8H,3-4H2,1-2H3
InChIKeyBAQUZTWOGGUWKK-UHFFFAOYSA-N
XLogP3.49
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.17
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine (CID 156532874) is 6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine is CC(C)c1cn2cc(Br)c(C3CC3)nc2n1.
What is the InChIKey of 6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
The InChIKey is BAQUZTWOGGUWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3/c1-7(2)10-6-16-5-9(13)11(8-3-4-8)15-12(16)14-10/h5-8H,3-4H2,1-2H3.
What are the key properties of 6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine?
6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine has a molecular weight of 280.17 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-cyclopropyl-2-propan-2-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 156532874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).