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

C12H14F3N3O — CID 176739047

IUPAC2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCOc1nc(C(F)(F)F)cc2nc(C(C)(C)C)cn12
InChIInChI=1S/C12H14F3N3O/c1-11(2,3)8-6-18-9(16-8)5-7(12(13,14)15)17-10(18)19-4/h5-6H,1-4H3
InChIKeyFWGGVDAHQFCDCK-UHFFFAOYSA-N
MW273.26 g/mol
LogP3.05
Rot. Bonds1

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

2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (PubChem CID 176739047) has the molecular formula C12H14F3N3O and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
PubChem CID176739047
Molecular FormulaC12H14F3N3O
Molecular Weight273.26 g/mol
Exact Mass273.11
IUPAC Name2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine
SMILESCOc1nc(C(F)(F)F)cc2nc(C(C)(C)C)cn12
InChIInChI=1S/C12H14F3N3O/c1-11(2,3)8-6-18-9(16-8)5-7(12(13,14)15)17-10(18)19-4/h5-6H,1-4H3
InChIKeyFWGGVDAHQFCDCK-UHFFFAOYSA-N
XLogP3.05
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 53.05
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-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine-5-carbonitrile
CID 176738935
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-phenoxy-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 2822171
6-tert-butyl-3-(2-methoxyphenyl)-1H-imidazo[2,1-c][1,2,4]triazole
CID 146482460
4-tert-butyl-N-(4,4-difluorocyclohexyl)-2-methoxyimidazole-1-carboxamide
CID 156708418
2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704434
2-tert-butyl-7-(trifluoromethylsulfinyl)imidazo[1,2-c]pyrimidine
CID 176739190
4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine
CID 118704153
3-bromo-7-methoxy-6-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 172632182
4-(4-methylphenyl)-2,6-bis(trifluoromethyl)pyridine
CID 102408426

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The IUPAC name of 2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine (CID 176739047) is 2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine.
What is the SMILES notation for 2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The canonical SMILES for 2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is COc1nc(C(F)(F)F)cc2nc(C(C)(C)C)cn12.
What is the InChIKey of 2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
The InChIKey is FWGGVDAHQFCDCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N3O/c1-11(2,3)8-6-18-9(16-8)5-7(12(13,14)15)17-10(18)19-4/h5-6H,1-4H3.
What are the key properties of 2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine?
2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine has a molecular weight of 273.26 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-methoxy-7-(trifluoromethyl)imidazo[1,2-c]pyrimidine is sourced from PubChem (CID 176739047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).