2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine

C14H18N4S — CID 96669810

IUPAC2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCCSc1ccc(-c2nc(C)nc(CCN)n2)cc1
InChIInChI=1S/C14H18N4S/c1-3-19-12-6-4-11(5-7-12)14-17-10(2)16-13(18-14)8-9-15/h4-7H,3,8-9,15H2,1-2H3
InChIKeyCVEAFHGIXLDSSH-UHFFFAOYSA-N
MW274.39 g/mol
LogP2.46
Rot. Bonds5

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

2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine (PubChem CID 96669810) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
PubChem CID96669810
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine
SMILESCCSc1ccc(-c2nc(C)nc(CCN)n2)cc1
InChIInChI=1S/C14H18N4S/c1-3-19-12-6-4-11(5-7-12)14-17-10(2)16-13(18-14)8-9-15/h4-7H,3,8-9,15H2,1-2H3
InChIKeyCVEAFHGIXLDSSH-UHFFFAOYSA-N
XLogP2.46
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine (CID 96669810) is 2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine is CCSc1ccc(-c2nc(C)nc(CCN)n2)cc1.
What is the InChIKey of 2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
The InChIKey is CVEAFHGIXLDSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-3-19-12-6-4-11(5-7-12)14-17-10(2)16-13(18-14)8-9-15/h4-7H,3,8-9,15H2,1-2H3.
What are the key properties of 2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine?
2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine has a molecular weight of 274.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-ethylsulfanylphenyl)-6-methyl-1,3,5-triazin-2-yl]ethanamine is sourced from PubChem (CID 96669810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).