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

C20H23F3N8O — CID 172903772

IUPACN-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(c2nccn3cc(C(F)(F)F)nc23)C1
InChIInChI=1S/C20H23F3N8O/c1-28(16-2-4-25-19(27-16)29-8-10-32-11-9-29)14-3-6-30(12-14)17-18-26-15(20(21,22)23)13-31(18)7-5-24-17/h2,4-5,7,13-14H,3,6,8-12H2,1H3
InChIKeyCQMKWADQEVUVIG-UHFFFAOYSA-N
MW448.45 g/mol
LogP2.09
Rot. Bonds4

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

N-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 172903772) has the molecular formula C20H23F3N8O and a molecular weight of 448.45 g/mol. Its IUPAC name is N-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID172903772
Molecular FormulaC20H23F3N8O
Molecular Weight448.45 g/mol
Exact Mass448.19
IUPAC NameN-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCN(c1ccnc(N2CCOCC2)n1)C1CCN(c2nccn3cc(C(F)(F)F)nc23)C1
InChIInChI=1S/C20H23F3N8O/c1-28(16-2-4-25-19(27-16)29-8-10-32-11-9-29)14-3-6-30(12-14)17-18-26-15(20(21,22)23)13-31(18)7-5-24-17/h2,4-5,7,13-14H,3,6,8-12H2,1H3
InChIKeyCQMKWADQEVUVIG-UHFFFAOYSA-N
XLogP2.09
TPSA74.92 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171997767
2-N,4-N,4-N-trimethyl-2-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidine-2,4-diamine
CID 171998000
2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]piperidin-3-yl]pyrimidin-4-amine
CID 172903852
N-methyl-2-morpholin-4-yl-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 172901831
N-[1-(5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900137
N-[1-(6-cyclopropyl-5-fluoropyrimidin-4-yl)pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172901980
8-[4-(4-methylpyrimidin-2-yl)piperazin-1-yl]-2-(trifluoromethyl)imidazo[1,2-a]pyrazine
CID 166605051
N-methyl-N-[1-(3-methylpyrazin-2-yl)piperidin-4-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175648749
2-[3-[methyl-(2-morpholin-4-ylpyrimidin-4-yl)amino]pyrrolidin-1-yl]benzonitrile
CID 172903029
N-[1-(5-fluoropyrimidin-2-yl)piperidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172900263
N-methyl-N-[1-(6-methyl-2-pyridinyl)pyrrolidin-3-yl]-2-morpholin-4-ylpyrimidin-4-amine
CID 175649208
N-methyl-2-morpholin-4-yl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172904318

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 172903772) is N-methyl-2-morpholin-4-yl-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-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine is CN(c1ccnc(N2CCOCC2)n1)C1CCN(c2nccn3cc(C(F)(F)F)nc23)C1.
What is the InChIKey of N-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is CQMKWADQEVUVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N8O/c1-28(16-2-4-25-19(27-16)29-8-10-32-11-9-29)14-3-6-30(12-14)17-18-26-15(20(21,22)23)13-31(18)7-5-24-17/h2,4-5,7,13-14H,3,6,8-12H2,1H3.
What are the key properties of N-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine?
N-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 448.45 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-morpholin-4-yl-N-[1-[2-(trifluoromethyl)imidazo[1,2-a]pyrazin-8-yl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 172903772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).