7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine

C8H12F3N3 — CID 103314763

IUPAC7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CC(C(F)(F)F)N2CCN=C2N1
InChIInChI=1S/C8H12F3N3/c1-5-4-6(8(9,10)11)14-3-2-12-7(14)13-5/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyAVWGGAFTMNFEFE-UHFFFAOYSA-N
MW207.20 g/mol
LogP0.97
Rot. Bonds

About 7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine

7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine (PubChem CID 103314763) has the molecular formula C8H12F3N3 and a molecular weight of 207.20 g/mol. Its IUPAC name is 7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine
PubChem CID103314763
Molecular FormulaC8H12F3N3
Molecular Weight207.20 g/mol
Exact Mass207.10
IUPAC Name7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CC(C(F)(F)F)N2CCN=C2N1
InChIInChI=1S/C8H12F3N3/c1-5-4-6(8(9,10)11)14-3-2-12-7(14)13-5/h5-6H,2-4H2,1H3,(H,12,13)
InChIKeyAVWGGAFTMNFEFE-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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Related Compounds

2-Methyl-1-(3-piperidin-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 84584164
2-Methyl-1-(3-piperidin-1-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 84584165
2-methyl-1-(3-piperidin-1-ylpropyl)-3-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 97214100
2-methyl-1-(3-piperidin-1-ylpropyl)-3-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 97214101
5-(Difluoromethyl)-2-methyl-2H,3H,5H,6H,7H,8H-imidazo[1,2-a]pyrimidine
CID 103281655
2,7-dimethyl-5-(trifluoromethyl)-2H,3H,5H,6H,7H,8H-imidazo[1,2-a]pyrimidine
CID 103281675
2-Methyl-5-(trifluoromethyl)-2H,3H,5H,6H,7H,8H-imidazo[1,2-a]pyrimidine
CID 103281691
5-(Difluoromethyl)-2H,3H,5H,6H,7H,8H-imidazo[1,2-a]pyrimidine
CID 103314746
5-(Trifluoromethyl)-2H,3H,5H,6H,7H,8H-imidazo[1,2-a]pyrimidine
CID 103314785
N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109376110
N'-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376111
N'-methyl-N-[4-[methyl(propan-2-yl)amino]butyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109376123

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine (CID 103314763) is 7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine is CC1CC(C(F)(F)F)N2CCN=C2N1.
What is the InChIKey of 7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine?
The InChIKey is AVWGGAFTMNFEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N3/c1-5-4-6(8(9,10)11)14-3-2-12-7(14)13-5/h5-6H,2-4H2,1H3,(H,12,13).
What are the key properties of 7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine?
7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-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 7-methyl-5-(trifluoromethyl)-2,3,5,6,7,8-hexahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 103314763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).