2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine

C13H12Cl3N3 — CID 126657459

IUPAC2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine
SMILESCc1ccc(Cc2nc(C)nc(C(Cl)(Cl)Cl)n2)cc1
InChIInChI=1S/C13H12Cl3N3/c1-8-3-5-10(6-4-8)7-11-17-9(2)18-12(19-11)13(14,15)16/h3-6H,7H2,1-2H3
InChIKeyCKUQLQAURRZTDO-UHFFFAOYSA-N
MW316.62 g/mol
LogP3.91
Rot. Bonds2

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

2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine (PubChem CID 126657459) has the molecular formula C13H12Cl3N3 and a molecular weight of 316.62 g/mol. Its IUPAC name is 2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine.

Molecular Properties

Compound Name2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine
PubChem CID126657459
Molecular FormulaC13H12Cl3N3
Molecular Weight316.62 g/mol
Exact Mass315.01
IUPAC Name2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine
SMILESCc1ccc(Cc2nc(C)nc(C(Cl)(Cl)Cl)n2)cc1
InChIInChI=1S/C13H12Cl3N3/c1-8-3-5-10(6-4-8)7-11-17-9(2)18-12(19-11)13(14,15)16/h3-6H,7H2,1-2H3
InChIKeyCKUQLQAURRZTDO-UHFFFAOYSA-N
XLogP3.91
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.62
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzyl-4,6-dimethyl-1,3,5-triazine
CID 118594943
2-(1,3-benzodioxol-5-ylmethyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 158509577
5-bromo-6-methyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 66307241
2-(4-fluorophenyl)-4-methyl-6-(trichloromethyl)-1,3,5-triazine
CID 18989021
2-(4-benzyl-6-methyl-1,3,5-triazin-2-yl)acetic acid
CID 82477973
2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
CID 62745455
6-tert-butyl-N-ethyl-2-[(4-methylphenyl)methyl]pyrimidin-4-amine
CID 63487149
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
2-[4-[(4-fluorophenyl)methyl]-6-methyl-1,3,5-triazin-2-yl]ethanamine
CID 82479364
5-iodo-3-[(4-methylphenyl)methyl]-1,2,4-thiadiazole
CID 102618309
1-(chloromethyl)-4-[(4-methylphenyl)methyl]benzene
CID 22408145
4-chloro-6-methyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidine
CID 63614533

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine?
The IUPAC name of 2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine (CID 126657459) is 2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine.
What is the SMILES notation for 2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine?
The canonical SMILES for 2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine is Cc1ccc(Cc2nc(C)nc(C(Cl)(Cl)Cl)n2)cc1.
What is the InChIKey of 2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine?
The InChIKey is CKUQLQAURRZTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl3N3/c1-8-3-5-10(6-4-8)7-11-17-9(2)18-12(19-11)13(14,15)16/h3-6H,7H2,1-2H3.
What are the key properties of 2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine?
2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine has a molecular weight of 316.62 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine is sourced from PubChem (CID 126657459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).