[3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate

C16H24N4O2 — CID 118266854

IUPAC[3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
SMILESC#CCN(C)Cc1nc(C)c(COC(=O)N(C)CC)nc1C
InChIInChI=1S/C16H24N4O2/c1-7-9-19(5)10-14-12(3)18-15(13(4)17-14)11-22-16(21)20(6)8-2/h1H,8-11H2,2-6H3
InChIKeyWYKKCASPGHQLBL-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.75
Rot. Bonds6

About [3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate

[3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate (PubChem CID 118266854) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is [3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
PubChem CID118266854
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name[3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
SMILESC#CCN(C)Cc1nc(C)c(COC(=O)N(C)CC)nc1C
InChIInChI=1S/C16H24N4O2/c1-7-9-19(5)10-14-12(3)18-15(13(4)17-14)11-22-16(21)20(6)8-2/h1H,8-11H2,2-6H3
InChIKeyWYKKCASPGHQLBL-UHFFFAOYSA-N
XLogP1.75
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
The IUPAC name of [3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate (CID 118266854) is [3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for [3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
The canonical SMILES for [3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate is C#CCN(C)Cc1nc(C)c(COC(=O)N(C)CC)nc1C.
What is the InChIKey of [3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
The InChIKey is WYKKCASPGHQLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-7-9-19(5)10-14-12(3)18-15(13(4)17-14)11-22-16(21)20(6)8-2/h1H,8-11H2,2-6H3.
What are the key properties of [3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
[3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate has a molecular weight of 304.39 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethyl-5-[[methyl(prop-2-ynyl)amino]methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 118266854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).