2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

C12H14F3N3 — CID 176739052

IUPAC2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCc1nc(C(F)(F)F)cc2nc(C(C)(C)C)cn12
InChIInChI=1S/C12H14F3N3/c1-7-16-8(12(13,14)15)5-10-17-9(6-18(7)10)11(2,3)4/h5-6H,1-4H3
InChIKeySMAVDHKBORDUKL-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.35
Rot. Bonds

About 2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine

2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 176739052) has the molecular formula C12H14F3N3 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID176739052
Molecular FormulaC12H14F3N3
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Name2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCc1nc(C(F)(F)F)cc2nc(C(C)(C)C)cn12
InChIInChI=1S/C12H14F3N3/c1-7-16-8(12(13,14)15)5-10-17-9(6-18(7)10)11(2,3)4/h5-6H,1-4H3
InChIKeySMAVDHKBORDUKL-UHFFFAOYSA-N
XLogP3.35
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 176739047
2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile
CID 176738935
5-chloro-2-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 170213693
2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine
CID 176739162
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426
2-tert-butyl-7-phenoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2822171
2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine
CID 176739190
1,3,7-trimethyl-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine
CID 163434027
2-tert-butyl-7-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2822168
5-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 146680380
2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile
CID 59580102
methanamine;2-methyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
CID 177004636

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 176739052) is 2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is Cc1nc(C(F)(F)F)cc2nc(C(C)(C)C)cn12.
What is the InChIKey of 2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is SMAVDHKBORDUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3/c1-7-16-8(12(13,14)15)5-10-17-9(6-18(7)10)11(2,3)4/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 257.26 g/mol, XLogP of 3.35, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 176739052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).