2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

C15H12F3N3O — CID 142362621

IUPAC2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
SMILESCc1nc2ncc(-c3ccc(OC(F)(F)F)cc3)cn2c1C
InChIInChI=1S/C15H12F3N3O/c1-9-10(2)21-8-12(7-19-14(21)20-9)11-3-5-13(6-4-11)22-15(16,17)18/h3-8H,1-2H3
InChIKeyAXCICLYRYPZDAR-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.91
Rot. Bonds2

About 2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine

2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (PubChem CID 142362621) has the molecular formula C15H12F3N3O and a molecular weight of 307.28 g/mol. Its IUPAC name is 2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
PubChem CID142362621
Molecular FormulaC15H12F3N3O
Molecular Weight307.28 g/mol
Exact Mass307.09
IUPAC Name2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine
SMILESCc1nc2ncc(-c3ccc(OC(F)(F)F)cc3)cn2c1C
InChIInChI=1S/C15H12F3N3O/c1-9-10(2)21-8-12(7-19-14(21)20-9)11-3-5-13(6-4-11)22-15(16,17)18/h3-8H,1-2H3
InChIKeyAXCICLYRYPZDAR-UHFFFAOYSA-N
XLogP3.91
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(1,1-difluoroethyl)-3-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine-8-carbonitrile
CID 158390338
6-[2-methyl-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine
CID 134543915
2-methyl-5-phenylpyridine;2-methyl-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 158386173
4-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 3676782
1-ethyl-4-[4-(trifluoromethoxy)phenyl]benzene
CID 19436313
1-fluoro-3,5-bis[4-(trifluoromethoxy)phenyl]benzene
CID 164895353
1-[4-[3-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]cyclopropane-1-carbonitrile;ethane;2-methyl-6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrimidine;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazine
CID 142362552
1-methyl-5-[4-(trifluoromethoxy)phenyl]imidazole
CID 134354899
6-bromo-2-(4-methoxyphenyl)-3-methylimidazo[1,2-a]pyrimidine
CID 115404592
2-(2,2-dimethylpropyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 118455092
2-ethylsulfanyl-5-[4-(trifluoromethoxy)phenyl]pyrimidine
CID 151802827
methane;1-methyl-4-(trifluoromethoxy)benzene
CID 160675977

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The IUPAC name of 2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine (CID 142362621) is 2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The canonical SMILES for 2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is Cc1nc2ncc(-c3ccc(OC(F)(F)F)cc3)cn2c1C.
What is the InChIKey of 2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
The InChIKey is AXCICLYRYPZDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3O/c1-9-10(2)21-8-12(7-19-14(21)20-9)11-3-5-13(6-4-11)22-15(16,17)18/h3-8H,1-2H3.
What are the key properties of 2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine?
2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine has a molecular weight of 307.28 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine is sourced from PubChem (CID 142362621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).