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

C10H14F3N3 — CID 136710094

IUPAC7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)C1CCn2cc(C(F)(F)F)nc2N1
InChIInChI=1S/C10H14F3N3/c1-6(2)7-3-4-16-5-8(10(11,12)13)15-9(16)14-7/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyJBJVCALTONXSAK-UHFFFAOYSA-N
MW233.24 g/mol
LogP2.74
Rot. Bonds1

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

7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (PubChem CID 136710094) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is 7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.

Molecular Properties

Compound Name7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
PubChem CID136710094
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
SMILESCC(C)C1CCn2cc(C(F)(F)F)nc2N1
InChIInChI=1S/C10H14F3N3/c1-6(2)7-3-4-16-5-8(10(11,12)13)15-9(16)14-7/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyJBJVCALTONXSAK-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710023
7-(2-methoxyphenyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710062
7-(2-methylpropyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine
CID 163390431
5-(difluoromethyl)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710020
8-methyl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine
CID 45480427
2-tert-butyl-7-(3,5-dimethylphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710212
1-[1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-yl]ethanamine
CID 172584108
2-tert-butyl-7-(3,4-difluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine
CID 136710199
(7S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxylic acid
CID 125454335
2-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]propanoic acid
CID 83851254
2-cyclopentyl-1-propan-2-yl-4-(trifluoromethyl)imidazole
CID 90162058
1-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-4-ol
CID 172584100

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The IUPAC name of 7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine (CID 136710094) is 7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine.
What is the SMILES notation for 7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The canonical SMILES for 7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is CC(C)C1CCn2cc(C(F)(F)F)nc2N1.
What is the InChIKey of 7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
The InChIKey is JBJVCALTONXSAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-6(2)7-3-4-16-5-8(10(11,12)13)15-9(16)14-7/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine?
7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine has a molecular weight of 233.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yl-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine is sourced from PubChem (CID 136710094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).