5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

C15H16F3N3 — CID 136710007

IUPAC5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1ccc(C)c(C2CCNc3nc(C(F)(F)F)cn32)c1
InChIInChI=1S/C15H16F3N3/c1-9-3-4-10(2)11(7-9)12-5-6-19-14-20-13(8-21(12)14)15(16,17)18/h3-4,7-8,12H,5-6H2,1-2H3,(H,19,20)
InChIKeyDVMZKQGZFBIBFC-UHFFFAOYSA-N
MW295.31 g/mol
LogP3.92
Rot. Bonds1

About 5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine

5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710007) has the molecular formula C15H16F3N3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710007
Molecular FormulaC15H16F3N3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCc1ccc(C)c(C2CCNc3nc(C(F)(F)F)cn32)c1
InChIInChI=1S/C15H16F3N3/c1-9-3-4-10(2)11(7-9)12-5-6-19-14-20-13(8-21(12)14)15(16,17)18/h3-4,7-8,12H,5-6H2,1-2H3,(H,19,20)
InChIKeyDVMZKQGZFBIBFC-UHFFFAOYSA-N
XLogP3.92
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710007) is 5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is Cc1ccc(C)c(C2CCNc3nc(C(F)(F)F)cn32)c1.
What is the InChIKey of 5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is DVMZKQGZFBIBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3/c1-9-3-4-10(2)11(7-9)12-5-6-19-14-20-13(8-21(12)14)15(16,17)18/h3-4,7-8,12H,5-6H2,1-2H3,(H,19,20).
What are the key properties of 5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 295.31 g/mol, XLogP of 3.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).