6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C19H21F3N6 — CID 139358107

IUPAC6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1CC(C)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H21F3N6/c1-11-6-12(2)13(3)27(9-11)16-4-5-23-18(26-16)14-7-25-17-8-24-15(10-28(14)17)19(20,21)22/h4-5,7-8,10-13H,6,9H2,1-3H3
InChIKeyRRCAQIALKWAQQB-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.08
Rot. Bonds2

About 6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine

6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139358107) has the molecular formula C19H21F3N6 and a molecular weight of 390.41 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139358107
Molecular FormulaC19H21F3N6
Molecular Weight390.41 g/mol
Exact Mass390.18
IUPAC Name6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1CC(C)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C19H21F3N6/c1-11-6-12(2)13(3)27(9-11)16-4-5-23-18(26-16)14-7-25-17-8-24-15(10-28(14)17)19(20,21)22/h4-5,7-8,10-13H,6,9H2,1-3H3
InChIKeyRRCAQIALKWAQQB-UHFFFAOYSA-N
XLogP4.08
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-4-(trifluoromethyl)pyrimidine
CID 72871667
2-(Imidazol-1-YL)-6-[1-(pyrimidin-2-YL)piperidin-3-YL]pyrazine
CID 110253585
3-[[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 97880678
4-[(2S,4S)-4-fluoro-2-[(imidazo[1,2-a]pyrazin-3-ylmethylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylpyrimidin-2-amine
CID 129001893
N,5-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-4-amine
CID 164642198
(3S)-N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-1-pyrimidin-4-ylpiperidin-3-amine
CID 171359505
9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
CID 10360637
9-(Cyclohexylmethyl)-2-fluoropurine
CID 69896429
2-N-tert-butyl-9-(2-piperazin-1-ylethyl)-8-N-[3-(trifluoromethyl)cyclohexyl]purine-2,8-diamine
CID 132207068
2-N-tert-butyl-9-(piperidin-4-ylmethyl)-8-N-[3-(trifluoromethyl)cyclohexyl]purine-2,8-diamine
CID 132207069
Tert-butyl 2-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 139343208
3-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]propanal
CID 139343213

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139358107) is 6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CC1CC(C)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is RRCAQIALKWAQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F3N6/c1-11-6-12(2)13(3)27(9-11)16-4-5-23-18(26-16)14-7-25-17-8-24-15(10-28(14)17)19(20,21)22/h4-5,7-8,10-13H,6,9H2,1-3H3.
What are the key properties of 6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 390.41 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3-[4-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).