N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine

C16H16F3N7 — CID 171997767

IUPACN-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(c2nccn3cc(C(F)(F)F)nc23)C1
InChIInChI=1S/C16H16F3N7/c1-24(13-2-4-20-10-22-13)11-3-6-25(8-11)14-15-23-12(16(17,18)19)9-26(15)7-5-21-14/h2,4-5,7,9-11H,3,6,8H2,1H3
InChIKeyBFLDMEFDARWUDB-UHFFFAOYSA-N
MW363.35 g/mol
LogP2.25
Rot. Bonds3

About N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine

N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 171997767) has the molecular formula C16H16F3N7 and a molecular weight of 363.35 g/mol. Its IUPAC name is N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID171997767
Molecular FormulaC16H16F3N7
Molecular Weight363.35 g/mol
Exact Mass363.14
IUPAC NameN-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccncn1)C1CCN(c2nccn3cc(C(F)(F)F)nc23)C1
InChIInChI=1S/C16H16F3N7/c1-24(13-2-4-20-10-22-13)11-3-6-25(8-11)14-15-23-12(16(17,18)19)9-26(15)7-5-21-14/h2,4-5,7,9-11H,3,6,8H2,1H3
InChIKeyBFLDMEFDARWUDB-UHFFFAOYSA-N
XLogP2.25
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(4-Methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 3968007
8-methyl-3-(pyrazol-1-ylmethyl)-7-pyrimidin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 118744624
9-[3-(4-Ethylpiperazin-1-yl)propyl]purine
CID 155536050
Purine, 9-methyl-2-piperidino-
CID 20781954
9-(1,1,1,3,3,3-Hexafluoropropan-2-yl)purine
CID 178338648
7-(1,1,1,3,3,3-Hexafluoropropan-2-yl)purine
CID 178338649
2-(Pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyrimidine
CID 3882199
Purine, 9-methyl-8-piperidino-
CID 171383960
3-Methylimidazo[2,1-f]purine
CID 10821088
Pyrimido[2,1-f]purine
CID 70443161
1-Butyl-4-[7-(2-methyl-1H-imidazol-1-YL)pyrazolo[1,5-A]pyrimidin-5-YL]piperazine
CID 53183289
3-[[(2R)-4-methyl-2-propan-2-ylpiperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 97880678

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 171997767) is N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine is CN(c1ccncn1)C1CCN(c2nccn3cc(C(F)(F)F)nc23)C1.
What is the InChIKey of N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is BFLDMEFDARWUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N7/c1-24(13-2-4-20-10-22-13)11-3-6-25(8-11)14-15-23-12(16(17,18)19)9-26(15)7-5-21-14/h2,4-5,7,9-11H,3,6,8H2,1H3.
What are the key properties of N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 363.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171997767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).