diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate

C24H26N4O4 — CID 15404215

IUPACdiethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate
SMILESCCOC(=O)c1nc(NCc2ccccc2)c(C(=O)OCC)nc1NCc1ccccc1
InChIInChI=1S/C24H26N4O4/c1-3-31-23(29)19-21(25-15-17-11-7-5-8-12-17)28-20(24(30)32-4-2)22(27-19)26-16-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,26,27)(H,25,28)
InChIKeyFMWUURDYOISOQB-UHFFFAOYSA-N
MW434.50 g/mol
LogP4.05
Rot. Bonds10

About diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate

diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate (PubChem CID 15404215) has the molecular formula C24H26N4O4 and a molecular weight of 434.50 g/mol. Its IUPAC name is diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate
PubChem CID15404215
Molecular FormulaC24H26N4O4
Molecular Weight434.50 g/mol
Exact Mass434.20
IUPAC Namediethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate
SMILESCCOC(=O)c1nc(NCc2ccccc2)c(C(=O)OCC)nc1NCc1ccccc1
InChIInChI=1S/C24H26N4O4/c1-3-31-23(29)19-21(25-15-17-11-7-5-8-12-17)28-20(24(30)32-4-2)22(27-19)26-16-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,26,27)(H,25,28)
InChIKeyFMWUURDYOISOQB-UHFFFAOYSA-N
XLogP4.05
TPSA102.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.50
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

ethyl 3-(benzylamino)-5-methyl-1H-pyrazole-4-carboxylate
CID 852511
ethyl 6,7-dimethyl-3-[(4-methylphenyl)methylamino]quinoxaline-2-carboxylate
CID 39886314
ethyl 2-(benzylamino)-4-methylpyrimidine-5-carboxylate
CID 667203
butyl 5-(benzylamino)-6-bromo-3-methylpyrazine-2-carboxylate
CID 91884472
ethyl 6-(benzylamino)-7H-purine-8-carboxylate
CID 89439448
ethyl 3-(benzylamino)-2-methylbenzoate
CID 5127212
ethyl 4-(benzylamino)-2-pyridin-3-ylpyrimidine-5-carboxylate
CID 59517703
ethyl 4-(benzylamino)-6-methylfuro[2,3-d]pyrimidine-5-carboxylate
CID 20924930
ethyl 5-(benzylamino)-1,3-dimethylpyrazole-4-carboxylate
CID 852512
ethyl 3-[(4-ethoxy-3-methoxyphenyl)methylamino]-6,7-dimethylquinoxaline-2-carboxylate
CID 39886332
ethyl 5-chloro-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxylate
CID 78358134
ethyl 2-(benzylamino)-6-bromo-4-chloroquinoline-3-carboxylate;ethyl 6-bromo-2,4-dichloroquinoline-3-carboxylate
CID 158248552

Frequently Asked Questions

What is the IUPAC name of diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate?
The IUPAC name of diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate (CID 15404215) is diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate.
What is the SMILES notation for diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate?
The canonical SMILES for diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate is CCOC(=O)c1nc(NCc2ccccc2)c(C(=O)OCC)nc1NCc1ccccc1.
What is the InChIKey of diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate?
The InChIKey is FMWUURDYOISOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O4/c1-3-31-23(29)19-21(25-15-17-11-7-5-8-12-17)28-20(24(30)32-4-2)22(27-19)26-16-18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3,(H,26,27)(H,25,28).
What are the key properties of diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate?
diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate has a molecular weight of 434.50 g/mol, XLogP of 4.05, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3,6-bis(benzylamino)pyrazine-2,5-dicarboxylate is sourced from PubChem (CID 15404215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).