3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine

C24H28Br2N6O2 — CID 160944147

IUPAC3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine
SMILESBrc1cnc2ncc(OC3CCCCC3)cn12.Brc1cnc2ncc(OC3CCCCC3)cn12
InChIInChI=1S/2C12H14BrN3O/c2*13-11-7-15-12-14-6-10(8-16(11)12)17-9-4-2-1-3-5-9/h2*6-9H,1-5H2
InChIKeySUWVDBULJIGISY-UHFFFAOYSA-N
MW592.34 g/mol
LogP6.41
Rot. Bonds4

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

3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine (PubChem CID 160944147) has the molecular formula C24H28Br2N6O2 and a molecular weight of 592.34 g/mol. Its IUPAC name is 3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine
PubChem CID160944147
Molecular FormulaC24H28Br2N6O2
Molecular Weight592.34 g/mol
Exact Mass590.06
IUPAC Name3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine
SMILESBrc1cnc2ncc(OC3CCCCC3)cn12.Brc1cnc2ncc(OC3CCCCC3)cn12
InChIInChI=1S/2C12H14BrN3O/c2*13-11-7-15-12-14-6-10(8-16(11)12)17-9-4-2-1-3-5-9/h2*6-9H,1-5H2
InChIKeySUWVDBULJIGISY-UHFFFAOYSA-N
XLogP6.41
TPSA78.84 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.34
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-cyclohexyloxy-1H-pyrazole
CID 117233527
5-cyclobutyloxy-2-(trifluoromethyl)pyrimidine
CID 153355540
2-tert-butyl-5-cyclopentyloxypyrimidine
CID 58088013
2-(chloromethyl)-5-cycloheptyloxypyridine
CID 82929271
1-bromo-4-cyclopentyloxybenzene
CID 22599958
5-cyclobutyloxypyrimidine-2-carbaldehyde
CID 163242847
5-cycloheptyloxypyridine-2-carboxylic acid
CID 115491140
3-cycloheptyloxypyridine
CID 112558615
(4-bromo-3,5-dimethylphenoxy)cycloheptane
CID 107723724
2-(4-cyclohexyloxypyrazol-1-yl)phenol
CID 117229621
5-cyclopentyloxy-2-ethylpyridine
CID 143839815
2-cyclohexyloxy-5-methoxypyridine
CID 170010378

Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine?
The IUPAC name of 3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine (CID 160944147) is 3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine is Brc1cnc2ncc(OC3CCCCC3)cn12.Brc1cnc2ncc(OC3CCCCC3)cn12.
What is the InChIKey of 3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine?
The InChIKey is SUWVDBULJIGISY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H14BrN3O/c2*13-11-7-15-12-14-6-10(8-16(11)12)17-9-4-2-1-3-5-9/h2*6-9H,1-5H2.
What are the key properties of 3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine?
3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine has a molecular weight of 592.34 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-cyclohexyloxyimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 160944147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).