4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine

C12H14N4S — CID 3044744

IUPAC4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine
SMILESCNc1nc(C)nc(SCc2ccccc2)n1
InChIInChI=1S/C12H14N4S/c1-9-14-11(13-2)16-12(15-9)17-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,14,15,16)
InChIKeyNQYBYIJBNCZHIN-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.51
Rot. Bonds4

About 4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine

4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine (PubChem CID 3044744) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is 4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine
PubChem CID3044744
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC Name4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine
SMILESCNc1nc(C)nc(SCc2ccccc2)n1
InChIInChI=1S/C12H14N4S/c1-9-14-11(13-2)16-12(15-9)17-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,14,15,16)
InChIKeyNQYBYIJBNCZHIN-UHFFFAOYSA-N
XLogP2.51
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine (CID 3044744) is 4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine is CNc1nc(C)nc(SCc2ccccc2)n1.
What is the InChIKey of 4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is NQYBYIJBNCZHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-9-14-11(13-2)16-12(15-9)17-8-10-6-4-3-5-7-10/h3-7H,8H2,1-2H3,(H,13,14,15,16).
What are the key properties of 4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine?
4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 246.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-N,6-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3044744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).