4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine

C7H12ClN5S — CID 80895239

IUPAC4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine
SMILESCN(C)CCSc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H12ClN5S/c1-13(2)3-4-14-7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyQZAJGFBSOKLKAL-UHFFFAOYSA-N
MW233.73 g/mol
LogP0.76
Rot. Bonds4

About 4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine

4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine (PubChem CID 80895239) has the molecular formula C7H12ClN5S and a molecular weight of 233.73 g/mol. Its IUPAC name is 4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine
PubChem CID80895239
Molecular FormulaC7H12ClN5S
Molecular Weight233.73 g/mol
Exact Mass233.05
IUPAC Name4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine
SMILESCN(C)CCSc1nc(N)nc(Cl)n1
InChIInChI=1S/C7H12ClN5S/c1-13(2)3-4-14-7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3,(H2,9,10,11,12)
InChIKeyQZAJGFBSOKLKAL-UHFFFAOYSA-N
XLogP0.76
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.73
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine (CID 80895239) is 4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine is CN(C)CCSc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine?
The InChIKey is QZAJGFBSOKLKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClN5S/c1-13(2)3-4-14-7-11-5(8)10-6(9)12-7/h3-4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine?
4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine has a molecular weight of 233.73 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 80895239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).