6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine

C10H12BrN3 — CID 115404587

IUPAC6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine
SMILESCCC(C)c1cn2cc(Br)cnc2n1
InChIInChI=1S/C10H12BrN3/c1-3-7(2)9-6-14-5-8(11)4-12-10(14)13-9/h4-7H,3H2,1-2H3
InChIKeySXPAPRNCBWFNRJ-UHFFFAOYSA-N
MW254.13 g/mol
LogP3.01
Rot. Bonds2

About 6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine

6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine (PubChem CID 115404587) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine
PubChem CID115404587
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine
SMILESCCC(C)c1cn2cc(Br)cnc2n1
InChIInChI=1S/C10H12BrN3/c1-3-7(2)9-6-14-5-8(11)4-12-10(14)13-9/h4-7H,3H2,1-2H3
InChIKeySXPAPRNCBWFNRJ-UHFFFAOYSA-N
XLogP3.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-propylimidazo[1,2-a]pyrimidine
CID 115404624
5-bromo-2-butan-2-ylpyrimidine
CID 130120212
2-bromo-5-butan-2-ylpyrazine
CID 91862993
6-bromo-2-[(4-fluoro-2-pyridinyl)oxymethyl]imidazo[1,2-a]pyrimidine
CID 122506739
6-bromo-2-(4-methylsulfanylphenyl)imidazo[1,2-a]pyrimidine
CID 115404681
5-bromo-2-butan-2-yl-4-methylpyrimidine
CID 172992257
6-bromo-2-(4-methoxy-2,5-dimethylphenyl)imidazo[1,2-a]pyrimidine
CID 83779639
6-bromo-3-ethyl-2-phenylimidazo[1,2-a]pyrimidine
CID 113303380
4-bromo-1-[(2S)-butan-2-yl]pyrazole
CID 51892128
methyl 4-(6-bromoimidazo[1,2-a]pyrimidin-2-yl)benzoate
CID 45158634
2-butan-2-ylimidazo[1,2-b]pyridazine
CID 138650085
2-butan-2-ylpyrimidin-4-amine
CID 62313263

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine?
The IUPAC name of 6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine (CID 115404587) is 6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine?
The canonical SMILES for 6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine is CCC(C)c1cn2cc(Br)cnc2n1.
What is the InChIKey of 6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine?
The InChIKey is SXPAPRNCBWFNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-3-7(2)9-6-14-5-8(11)4-12-10(14)13-9/h4-7H,3H2,1-2H3.
What are the key properties of 6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine?
6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine has a molecular weight of 254.13 g/mol, XLogP of 3.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-butan-2-ylimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 115404587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).