2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine

C7H12N4O2S — CID 94830323

IUPAC2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine
SMILESCOc1nc(OC)nc(SCCN)n1
InChIInChI=1S/C7H12N4O2S/c1-12-5-9-6(13-2)11-7(10-5)14-4-3-8/h3-4,8H2,1-2H3
InChIKeyQGIQWJVFMLNKSF-UHFFFAOYSA-N
MW216.27 g/mol
LogP-0.06
Rot. Bonds5

About 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine

2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine (PubChem CID 94830323) has the molecular formula C7H12N4O2S and a molecular weight of 216.27 g/mol. Its IUPAC name is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine.

Molecular Properties

Compound Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine
PubChem CID94830323
Molecular FormulaC7H12N4O2S
Molecular Weight216.27 g/mol
Exact Mass216.07
IUPAC Name2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine
SMILESCOc1nc(OC)nc(SCCN)n1
InChIInChI=1S/C7H12N4O2S/c1-12-5-9-6(13-2)11-7(10-5)14-4-3-8/h3-4,8H2,1-2H3
InChIKeyQGIQWJVFMLNKSF-UHFFFAOYSA-N
XLogP-0.06
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine?
The IUPAC name of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine (CID 94830323) is 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine.
What is the SMILES notation for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine?
The canonical SMILES for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine is COc1nc(OC)nc(SCCN)n1.
What is the InChIKey of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine?
The InChIKey is QGIQWJVFMLNKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S/c1-12-5-9-6(13-2)11-7(10-5)14-4-3-8/h3-4,8H2,1-2H3.
What are the key properties of 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine?
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine has a molecular weight of 216.27 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)sulfanyl]ethanamine is sourced from PubChem (CID 94830323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).