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

C12H11F3N4 — CID 176738935

IUPAC2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile
SMILESCC(C)(C)c1cn2c(C#N)nc(C(F)(F)F)cc2n1
InChIInChI=1S/C12H11F3N4/c1-11(2,3)8-6-19-9(18-8)4-7(12(13,14)15)17-10(19)5-16/h4,6H,1-3H3
InChIKeyLLAMARDOKAZCAK-UHFFFAOYSA-N
MW268.24 g/mol
LogP2.92
Rot. Bonds

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

2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile (PubChem CID 176738935) has the molecular formula C12H11F3N4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile
PubChem CID176738935
Molecular FormulaC12H11F3N4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile
SMILESCC(C)(C)c1cn2c(C#N)nc(C(F)(F)F)cc2n1
InChIInChI=1S/C12H11F3N4/c1-11(2,3)8-6-19-9(18-8)4-7(12(13,14)15)17-10(19)5-16/h4,6H,1-3H3
InChIKeyLLAMARDOKAZCAK-UHFFFAOYSA-N
XLogP2.92
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-tert-butyl-5-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 176739052
2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 176739047
2-tert-butylimidazo[1,2-a]pyridine-5-carbonitrile
CID 59580102
2-tert-butyl-7-(difluoromethyl)-5-fluoroimidazo[1,2-c]pyrimidine
CID 176739162
5-chloro-2-methyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
CID 170213693
2-tert-butyl-7-(1,1,2,2,2-pentafluoroethyl)imidazo[1,2-c]pyrimidine-3-carbonitrile
CID 170213571
2-tert-butyl-7-phenoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2822171
2-amino-4-methyl-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 130681330
2-tert-butyl-7-(1,1,2,2-tetrafluoroethyl)imidazo[1,2-c]pyrimidine-3-carbonitrile
CID 176738855
2-tert-butyl-7-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2822168
4-(1,1,2,2,2-pentafluoroethyl)imidazole-1,2-dicarbonitrile
CID 135285320
2-tert-butyl-6-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 82060759

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile?
The IUPAC name of 2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile (CID 176738935) is 2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile?
The canonical SMILES for 2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile is CC(C)(C)c1cn2c(C#N)nc(C(F)(F)F)cc2n1.
What is the InChIKey of 2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile?
The InChIKey is LLAMARDOKAZCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4/c1-11(2,3)8-6-19-9(18-8)4-7(12(13,14)15)17-10(19)5-16/h4,6H,1-3H3.
What are the key properties of 2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile?
2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile has a molecular weight of 268.24 g/mol, XLogP of 2.92, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile is sourced from PubChem (CID 176738935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).