3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

C12H14F3N3 — CID 155236681

IUPAC3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCCCCc1c(C)nc2nc(C(F)(F)F)ccn12
InChIInChI=1S/C12H14F3N3/c1-3-4-5-9-8(2)16-11-17-10(12(13,14)15)6-7-18(9)11/h6-7H,3-5H2,1-2H3
InChIKeyGKKFXHOUAXNZGH-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.40
Rot. Bonds3

About 3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine

3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (PubChem CID 155236681) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
PubChem CID155236681
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine
SMILESCCCCc1c(C)nc2nc(C(F)(F)F)ccn12
InChIInChI=1S/C12H14F3N3/c1-3-4-5-9-8(2)16-11-17-10(12(13,14)15)6-7-18(9)11/h6-7H,3-5H2,1-2H3
InChIKeyGKKFXHOUAXNZGH-UHFFFAOYSA-N
XLogP3.40
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The IUPAC name of 3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine (CID 155236681) is 3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The canonical SMILES for 3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is CCCCc1c(C)nc2nc(C(F)(F)F)ccn12.
What is the InChIKey of 3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
The InChIKey is GKKFXHOUAXNZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-3-4-5-9-8(2)16-11-17-10(12(13,14)15)6-7-18(9)11/h6-7H,3-5H2,1-2H3.
What are the key properties of 3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine?
3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine has a molecular weight of 257.26 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-2-methyl-7-(trifluoromethyl)imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 155236681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).