4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine

C21H26N8O — CID 71491199

IUPAC4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine
SMILESCc1ncc(C)n2nc(/C=C/c3nc(N4CCCC4)cc(N4CCOCC4)n3)nc12
InChIInChI=1S/C21H26N8O/c1-15-14-22-16(2)21-25-18(26-29(15)21)6-5-17-23-19(27-7-3-4-8-27)13-20(24-17)28-9-11-30-12-10-28/h5-6,13-14H,3-4,7-12H2,1-2H3/b6-5+
InChIKeyMVNAMIDGSTWFMV-AATRIKPKSA-N
MW406.49 g/mol
LogP2.14
Rot. Bonds4

About 4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine

4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine (PubChem CID 71491199) has the molecular formula C21H26N8O and a molecular weight of 406.49 g/mol. Its IUPAC name is 4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine
PubChem CID71491199
Molecular FormulaC21H26N8O
Molecular Weight406.49 g/mol
Exact Mass406.22
IUPAC Name4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine
SMILESCc1ncc(C)n2nc(/C=C/c3nc(N4CCCC4)cc(N4CCOCC4)n3)nc12
InChIInChI=1S/C21H26N8O/c1-15-14-22-16(2)21-25-18(26-29(15)21)6-5-17-23-19(27-7-3-4-8-27)13-20(24-17)28-9-11-30-12-10-28/h5-6,13-14H,3-4,7-12H2,1-2H3/b6-5+
InChIKeyMVNAMIDGSTWFMV-AATRIKPKSA-N
XLogP2.14
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine with MolForge

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Related Compounds

5-cyclopropyl-3-[[(2R)-4-(pyrimidin-2-ylmethyl)morpholin-2-yl]methyl]triazolo[4,5-d]pyrimidin-7-amine
CID 70684651
US10131675, Example 83
CID 122536079
5-[2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethyl]-N-(2-methoxyethyl)-N,2-dimethyl-1,2,4-triazol-3-amine
CID 165415254
nSMase2-IN-1
CID 168510320
4-[4-Methyl-1-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 139358080
4-[1-[2-[6-(Trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]pyrrolidin-3-yl]morpholine
CID 139359143
4-[2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-2,2-difluoroethyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine
CID 144465681
4-[2-[2-(5,8-Dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)-2-fluoroethyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine
CID 144465772
4-[4-(3,3-Difluoropyrrolidin-1-yl)-6,7-dimethylpteridin-2-yl]morpholine;1-methylpyrazole
CID 157044895
7-[4-(6-Methoxypyrazin-2-yl)piperazin-1-yl]-5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 132477467
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
1-(2-ethylpyrazol-3-yl)-N-methyl-N-[[6-morpholin-4-yl-9-(2,2,2-trifluoroethyl)purin-2-yl]methyl]methanamine
CID 175656220

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine (CID 71491199) is 4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine is Cc1ncc(C)n2nc(/C=C/c3nc(N4CCCC4)cc(N4CCOCC4)n3)nc12.
What is the InChIKey of 4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine?
The InChIKey is MVNAMIDGSTWFMV-AATRIKPKSA-N. The full InChI is InChI=1S/C21H26N8O/c1-15-14-22-16(2)21-25-18(26-29(15)21)6-5-17-23-19(27-7-3-4-8-27)13-20(24-17)28-9-11-30-12-10-28/h5-6,13-14H,3-4,7-12H2,1-2H3/b6-5+.
What are the key properties of 4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine?
4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine has a molecular weight of 406.49 g/mol, XLogP of 2.14, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(E)-2-(5,8-dimethyl-[1,2,4]triazolo[1,5-a]pyrazin-2-yl)ethenyl]-6-pyrrolidin-1-ylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 71491199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).