2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine

C9H14F3N3 — CID 103281675

IUPAC2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CC(C(F)(F)F)N2CC(C)NC2=N1
InChIInChI=1S/C9H14F3N3/c1-5-3-7(9(10,11)12)15-4-6(2)14-8(15)13-5/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeySKUIIIJHGXSXJR-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.36
Rot. Bonds

About 2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine

2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (PubChem CID 103281675) has the molecular formula C9H14F3N3 and a molecular weight of 221.23 g/mol. Its IUPAC name is 2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
PubChem CID103281675
Molecular FormulaC9H14F3N3
Molecular Weight221.23 g/mol
Exact Mass221.11
IUPAC Name2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CC(C(F)(F)F)N2CC(C)NC2=N1
InChIInChI=1S/C9H14F3N3/c1-5-3-7(9(10,11)12)15-4-6(2)14-8(15)13-5/h5-7H,3-4H2,1-2H3,(H,13,14)
InChIKeySKUIIIJHGXSXJR-UHFFFAOYSA-N
XLogP1.36
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (CID 103281675) is 2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is CC1CC(C(F)(F)F)N2CC(C)NC2=N1.
What is the InChIKey of 2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The InChIKey is SKUIIIJHGXSXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3/c1-5-3-7(9(10,11)12)15-4-6(2)14-8(15)13-5/h5-7H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine has a molecular weight of 221.23 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 103281675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).