2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione

C11H12N4S — CID 83240427

IUPAC2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione
SMILESCc1cccc(Cc2nc(=S)nc(N)[nH]2)c1
InChIInChI=1S/C11H12N4S/c1-7-3-2-4-8(5-7)6-9-13-10(12)15-11(16)14-9/h2-5H,6H2,1H3,(H3,12,13,14,15,16)
InChIKeyUWPIUUXJGLZZKD-UHFFFAOYSA-N
MW232.31 g/mol
LogP2.02
Rot. Bonds2

About 2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione

2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione (PubChem CID 83240427) has the molecular formula C11H12N4S and a molecular weight of 232.31 g/mol. Its IUPAC name is 2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione.

Molecular Properties

Compound Name2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione
PubChem CID83240427
Molecular FormulaC11H12N4S
Molecular Weight232.31 g/mol
Exact Mass232.08
IUPAC Name2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione
SMILESCc1cccc(Cc2nc(=S)nc(N)[nH]2)c1
InChIInChI=1S/C11H12N4S/c1-7-3-2-4-8(5-7)6-9-13-10(12)15-11(16)14-9/h2-5H,6H2,1H3,(H3,12,13,14,15,16)
InChIKeyUWPIUUXJGLZZKD-UHFFFAOYSA-N
XLogP2.02
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-6-[2-(3-methylphenoxy)ethyl]-1H-1,3,5-triazine-4-thione
CID 83241772
2-amino-6-[(2,6-difluorophenyl)methyl]-1H-1,3,5-triazine-4-thione
CID 83240431
2-[(3-methylphenyl)methyl]-4,5,6,7-tetrahydro-3H-benzimidazol-5-amine
CID 115003886
2-[5-methyl-2-[(3-methylphenyl)methyl]-1H-imidazol-4-yl]acetic acid
CID 82294163
3-amino-4-[(3-methylphenyl)methyl]-1H-1,2,4-triazole-5-thione
CID 64573237
[4-methyl-5-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593949
4-[(3-methylphenyl)methyl]pyridine-2,3,6-triamine
CID 140918296
2,4-diamino-5-[(3-methylphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135434152
1-iodo-3-[(3-methylphenyl)methyl]benzene
CID 155312038
5-[(3-methylphenyl)methyl]-1H-1,2,4-triazole-3-carboxamide
CID 90351403
5-methyl-4-[(3-methylphenyl)methyl]-1H-pyrazole
CID 69037485
6-ethyl-5-iodo-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66299080

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione?
The IUPAC name of 2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione (CID 83240427) is 2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione.
What is the SMILES notation for 2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione?
The canonical SMILES for 2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione is Cc1cccc(Cc2nc(=S)nc(N)[nH]2)c1.
What is the InChIKey of 2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione?
The InChIKey is UWPIUUXJGLZZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4S/c1-7-3-2-4-8(5-7)6-9-13-10(12)15-11(16)14-9/h2-5H,6H2,1H3,(H3,12,13,14,15,16).
What are the key properties of 2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione?
2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione has a molecular weight of 232.31 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(3-methylphenyl)methyl]-1H-1,3,5-triazine-4-thione is sourced from PubChem (CID 83240427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).