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

C14H16F3N3 — CID 103281673

IUPAC2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CN2C(=NCCC2c2ccccc2C(F)(F)F)N1
InChIInChI=1S/C14H16F3N3/c1-9-8-20-12(6-7-18-13(20)19-9)10-4-2-3-5-11(10)14(15,16)17/h2-5,9,12H,6-8H2,1H3,(H,18,19)
InChIKeyPMERCWYSTZLIST-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.80
Rot. Bonds1

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

2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (PubChem CID 103281673) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
PubChem CID103281673
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC Name2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine
SMILESCC1CN2C(=NCCC2c2ccccc2C(F)(F)F)N1
InChIInChI=1S/C14H16F3N3/c1-9-8-20-12(6-7-18-13(20)19-9)10-4-2-3-5-11(10)14(15,16)17/h2-5,9,12H,6-8H2,1H3,(H,18,19)
InChIKeyPMERCWYSTZLIST-UHFFFAOYSA-N
XLogP2.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,6R)-6-methyl-3-[2-(trifluoromethyl)phenyl]piperazin-2-one
CID 125456068
4,7-dimethyl-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 5184611
1-(2-methylcyclobutyl)-2-(trifluoromethyl)benzene
CID 118593677
7-chloro-2-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-indole
CID 3403693
(3R,10bS)-3-methyl-7-(trifluoromethyl)-2,3,4,10b-tetrahydro-1H-pyrazino[1,2-b]isoindol-6-one
CID 58911670
(3R,5R)-3,5-dimethyl-1-[2-(trifluoromethyl)phenyl]piperazine
CID 94502238
3-ethyl-7-[2-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 136841203
4-[2-(trifluoromethyl)phenyl]oxane
CID 90852424
1-methyl-3-[2-(trifluoromethyl)phenyl]piperidine
CID 59253116
(3R,5R)-1-pyridin-2-yl-5-[2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 125140096
2,2-dimethyl-3-[2-(trifluoromethyl)phenyl]pyrrolidine
CID 55062903
1-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1H-isoindole
CID 65046310

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine (CID 103281673) is 2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is CC1CN2C(=NCCC2c2ccccc2C(F)(F)F)N1.
What is the InChIKey of 2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
The InChIKey is PMERCWYSTZLIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-9-8-20-12(6-7-18-13(20)19-9)10-4-2-3-5-11(10)14(15,16)17/h2-5,9,12H,6-8H2,1H3,(H,18,19).
What are the key properties of 2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine?
2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine has a molecular weight of 283.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(trifluoromethyl)phenyl]-1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 103281673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).