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

C8H12F3N3 — CID 103281691

IUPAC2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CN2C(=NCCC2C(F)(F)F)N1
InChIInChI=1S/C8H12F3N3/c1-5-4-14-6(8(9,10)11)2-3-12-7(14)13-5/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyJKGDSHCGVYTPSY-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.97
Rot. Bonds

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

2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (PubChem CID 103281691) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
PubChem CID103281691
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CN2C(=NCCC2C(F)(F)F)N1
InChIInChI=1S/C8H12F3N3/c1-5-4-14-6(8(9,10)11)2-3-12-7(14)13-5/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyJKGDSHCGVYTPSY-UHFFFAOYSA-N
XLogP0.97
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (CID 103281691) is 2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is CC1CN2C(=NCCC2C(F)(F)F)N1.
What is the InChIKey of 2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The InChIKey is JKGDSHCGVYTPSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5-4-14-6(8(9,10)11)2-3-12-7(14)13-5/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine has a molecular weight of 207.20 g/mol, XLogP of 0.97, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(trifluoromethyl)-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 103281691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).