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

C17H17F3N6 — CID 139357602

IUPAC3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1C
InChIInChI=1S/C17H17F3N6/c1-10-7-25(8-11(10)2)14-3-4-21-16(24-14)12-5-23-15-6-22-13(9-26(12)15)17(18,19)20/h3-6,9-11H,7-8H2,1-2H3
InChIKeyHXIJNAJCNOTDEK-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.30
Rot. Bonds2

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

3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139357602) has the molecular formula C17H17F3N6 and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139357602
Molecular FormulaC17H17F3N6
Molecular Weight362.36 g/mol
Exact Mass362.15
IUPAC Name3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1C
InChIInChI=1S/C17H17F3N6/c1-10-7-25(8-11(10)2)14-3-4-21-16(24-14)12-5-23-15-6-22-13(9-26(12)15)17(18,19)20/h3-6,9-11H,7-8H2,1-2H3
InChIKeyHXIJNAJCNOTDEK-UHFFFAOYSA-N
XLogP3.30
TPSA59.21 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine with MolForge

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Related Compounds

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
9-[2-(ethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 10042739
9-[2-(dimethylamino)pyrimidin-4-yl]-N,N-dimethyl-2-(trifluoromethyl)purin-6-amine
CID 10360637
N-methyl-9-[2-(methylamino)pyrimidin-4-yl]-2-(trifluoromethyl)purin-6-amine
CID 10403961
9-(2-aminopyrimidin-4-yl)-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 11722897
9-[2-(dimethylamino)pyrimidin-4-yl]-N-methyl-2-(trifluoromethyl)purin-6-amine
CID 11724669
N,N-dimethyl-2-[2-(trifluoromethyl)purin-9-yl]pyrimidin-4-amine;N-methylmethanamine
CID 69075847
9-(2-Methylsulfanylpyrimidin-4-yl)-6-pyrrolidin-1-yl-2-(trifluoromethyl)purine
CID 69254233
9-Butyl-2-(trifluoromethyl)purine
CID 69714461
9-(2-methylpyrimidin-4-yl)-N-propyl-2-(trifluoromethyl)purin-8-amine
CID 91231470

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139357602) is 3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC1C.
What is the InChIKey of 3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is HXIJNAJCNOTDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N6/c1-10-7-25(8-11(10)2)14-3-4-21-16(24-14)12-5-23-15-6-22-13(9-26(12)15)17(18,19)20/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 362.36 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-dimethylpyrrolidin-1-yl)pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139357602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).