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

C15H22N4O2 — CID 118266853

IUPAC[3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
SMILESC#CCNCc1nc(C)c(COC(=O)N(C)CC)nc1C
InChIInChI=1S/C15H22N4O2/c1-6-8-16-9-13-11(3)18-14(12(4)17-13)10-21-15(20)19(5)7-2/h1,16H,7-10H2,2-5H3
InChIKeyWIKDOXLKOYRXEJ-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.40
Rot. Bonds6

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

[3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate (PubChem CID 118266853) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
PubChem CID118266853
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate
SMILESC#CCNCc1nc(C)c(COC(=O)N(C)CC)nc1C
InChIInChI=1S/C15H22N4O2/c1-6-8-16-9-13-11(3)18-14(12(4)17-13)10-21-15(20)19(5)7-2/h1,16H,7-10H2,2-5H3
InChIKeyWIKDOXLKOYRXEJ-UHFFFAOYSA-N
XLogP1.40
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
The IUPAC name of [3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate (CID 118266853) is [3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate.
What is the SMILES notation for [3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
The canonical SMILES for [3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate is C#CCNCc1nc(C)c(COC(=O)N(C)CC)nc1C.
What is the InChIKey of [3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
The InChIKey is WIKDOXLKOYRXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-6-8-16-9-13-11(3)18-14(12(4)17-13)10-21-15(20)19(5)7-2/h1,16H,7-10H2,2-5H3.
What are the key properties of [3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate?
[3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate has a molecular weight of 290.37 g/mol, XLogP of 1.40, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,6-dimethyl-5-[(prop-2-ynylamino)methyl]pyrazin-2-yl]methyl N-ethyl-N-methylcarbamate is sourced from PubChem (CID 118266853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).