4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

C11H12N4S — CID 56681935

IUPAC4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccccc2C)n1
InChIInChI=1S/C11H12N4S/c1-7-5-3-4-6-8(7)9-13-10(12)15-11(14-9)16-2/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyFQJFNAVQVZPULA-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.15
Rot. Bonds2

About 4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine

4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 56681935) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
PubChem CID56681935
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine
SMILESCSc1nc(N)nc(-c2ccccc2C)n1
InChIInChI=1S/C11H12N4S/c1-7-5-3-4-6-8(7)9-13-10(12)15-11(14-9)16-2/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyFQJFNAVQVZPULA-UHFFFAOYSA-N
XLogP2.15
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine (CID 56681935) is 4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is CSc1nc(N)nc(-c2ccccc2C)n1.
What is the InChIKey of 4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is FQJFNAVQVZPULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-7-5-3-4-6-8(7)9-13-10(12)15-11(14-9)16-2/h3-6H,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine?
4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-6-methylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 56681935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).