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

C11H12N4S — CID 12835649

IUPAC4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCc1ccc(Sc2nc(C)nc(N)n2)cc1
InChIInChI=1S/C11H12N4S/c1-7-3-5-9(6-4-7)16-11-14-8(2)13-10(12)15-11/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyBSZJSGMIKUNWTI-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.22
Rot. Bonds2

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

4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (PubChem CID 12835649) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
PubChem CID12835649
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
SMILESCc1ccc(Sc2nc(C)nc(N)n2)cc1
InChIInChI=1S/C11H12N4S/c1-7-3-5-9(6-4-7)16-11-14-8(2)13-10(12)15-11/h3-6H,1-2H3,(H2,12,13,14,15)
InChIKeyBSZJSGMIKUNWTI-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N,2-N-dimethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80884427
2-methyl-4,6-bis(phenylsulfanyl)-1,3,5-triazine
CID 58600041
4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine
CID 114053330
ethane;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 123790982
2-N,4-N-diethyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 22999
4-methyl-2-(4-methylphenyl)sulfanyl-1,3-thiazole
CID 25496142
5-(4-methylphenyl)sulfanylbenzene-1,3-diamine
CID 139969677
2-methyl-6-pyridin-4-ylsulfanylpyrimidin-4-amine
CID 80890422
4-(4-fluorophenyl)sulfanyl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80883341
4-propan-2-yloxy-6-(4-propan-2-ylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80872521
4-chloro-N-(4-methylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 141495635
6-(4-methylphenyl)sulfanyl-2-N,4-N-bis(1-phenylethyl)-1,3,5-triazine-2,4-diamine
CID 5050817

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine (CID 12835649) is 4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is Cc1ccc(Sc2nc(C)nc(N)n2)cc1.
What is the InChIKey of 4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
The InChIKey is BSZJSGMIKUNWTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-7-3-5-9(6-4-7)16-11-14-8(2)13-10(12)15-11/h3-6H,1-2H3,(H2,12,13,14,15).
What are the key properties of 4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine?
4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine has a molecular weight of 232.31 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 12835649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).