6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine

C13H13N3O3 — CID 80859608

IUPAC6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(OCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C13H13N3O3/c1-14-12-5-15-6-13(16-12)17-7-9-2-3-10-11(4-9)19-8-18-10/h2-6H,7-8H2,1H3,(H,14,16)
InChIKeyPWEQAWBEULOQOW-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.83
Rot. Bonds4

About 6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine

6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine (PubChem CID 80859608) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine
PubChem CID80859608
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine
SMILESCNc1cncc(OCc2ccc3c(c2)OCO3)n1
InChIInChI=1S/C13H13N3O3/c1-14-12-5-15-6-13(16-12)17-7-9-2-3-10-11(4-9)19-8-18-10/h2-6H,7-8H2,1H3,(H,14,16)
InChIKeyPWEQAWBEULOQOW-UHFFFAOYSA-N
XLogP1.83
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(1,3-benzodioxol-5-ylmethoxy)pyrazin-2-yl]methanamine
CID 66450197
6-(1,3-benzodioxol-5-ylmethoxy)-4-N-methylpyrimidine-2,4-diamine
CID 80860215
[6-(1,3-benzodioxol-5-ylmethoxy)-3-pyridinyl]boronic acid
CID 118734752
4-(1,3-benzodioxol-5-ylmethoxy)-6-chloro-2-propan-2-ylpyrimidine
CID 80944491
2-(1,3-benzodioxol-5-ylmethoxy)-6-methylpyridine-4-carbothioamide
CID 114768074
4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 95922877
1-[4-(1,3-benzodioxol-5-ylmethoxy)-2-pyridinyl]-N-methylmethanamine
CID 62292141
1-[4-(1,3-benzodioxol-5-ylmethoxy)phenyl]-N-methylethanamine
CID 43285127
5-ethyl-1,3-benzodioxole;N-methylethanamine
CID 158103316
O-(1,3-benzodioxol-5-ylmethyl)hydroxylamine
CID 22419624
6-(1,3-benzodioxol-5-ylmethoxy)-N'-hydroxypyridine-3-carboximidamide
CID 24710899
[4-(1,3-benzodioxol-5-ylmethoxy)-6-methyl-3-pyridinyl]methanamine
CID 81253350

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine?
The IUPAC name of 6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine (CID 80859608) is 6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine.
What is the SMILES notation for 6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine?
The canonical SMILES for 6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine is CNc1cncc(OCc2ccc3c(c2)OCO3)n1.
What is the InChIKey of 6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine?
The InChIKey is PWEQAWBEULOQOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-14-12-5-15-6-13(16-12)17-7-9-2-3-10-11(4-9)19-8-18-10/h2-6H,7-8H2,1H3,(H,14,16).
What are the key properties of 6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine?
6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine has a molecular weight of 259.26 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzodioxol-5-ylmethoxy)-N-methylpyrazin-2-amine is sourced from PubChem (CID 80859608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).