2-benzyl-4,6-dimethyl-1,3,5-triazine

C12H13N3 — CID 118594943

IUPAC2-benzyl-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(Cc2ccccc2)n1
InChIInChI=1S/C12H13N3/c1-9-13-10(2)15-12(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyBRIHIQZAOGRSEX-UHFFFAOYSA-N
MW199.26 g/mol
LogP2.08
Rot. Bonds2

About 2-benzyl-4,6-dimethyl-1,3,5-triazine

2-benzyl-4,6-dimethyl-1,3,5-triazine (PubChem CID 118594943) has the molecular formula C12H13N3 and a molecular weight of 199.26 g/mol. Its IUPAC name is 2-benzyl-4,6-dimethyl-1,3,5-triazine.

Molecular Properties

Compound Name2-benzyl-4,6-dimethyl-1,3,5-triazine
PubChem CID118594943
Molecular FormulaC12H13N3
Molecular Weight199.26 g/mol
Exact Mass199.11
IUPAC Name2-benzyl-4,6-dimethyl-1,3,5-triazine
SMILESCc1nc(C)nc(Cc2ccccc2)n1
InChIInChI=1S/C12H13N3/c1-9-13-10(2)15-12(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3
InChIKeyBRIHIQZAOGRSEX-UHFFFAOYSA-N
XLogP2.08
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.26
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-benzyl-6-methyl-1,3,5-triazin-2-yl)acetic acid
CID 82477973
2-benzyl-4-methyl-1,3,5-triazine
CID 76608302
(2-benzyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 28916465
2-benzyl-4-chloro-5-fluoro-6-methylpyrimidine
CID 66000630
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
2-benzyl-6-methylpyrimidine-4-carboxylic acid
CID 62746068
2-[4-methyl-6-(2-phenylethyl)-1,3,5-triazin-2-yl]ethanamine
CID 96662102
2-benzyl-5-bromo-4,6-dimethoxypyrimidine
CID 165347996
2-benzylpyrimidine
CID 13143744
2-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 62191071
phenyl(113C)methylbenzene
CID 11194569
2-methyl-4-[(4-methylphenyl)methyl]-6-(trichloromethyl)-1,3,5-triazine
CID 126657459

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,6-dimethyl-1,3,5-triazine?
The IUPAC name of 2-benzyl-4,6-dimethyl-1,3,5-triazine (CID 118594943) is 2-benzyl-4,6-dimethyl-1,3,5-triazine.
What is the SMILES notation for 2-benzyl-4,6-dimethyl-1,3,5-triazine?
The canonical SMILES for 2-benzyl-4,6-dimethyl-1,3,5-triazine is Cc1nc(C)nc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-4,6-dimethyl-1,3,5-triazine?
The InChIKey is BRIHIQZAOGRSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3/c1-9-13-10(2)15-12(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-benzyl-4,6-dimethyl-1,3,5-triazine?
2-benzyl-4,6-dimethyl-1,3,5-triazine has a molecular weight of 199.26 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,6-dimethyl-1,3,5-triazine is sourced from PubChem (CID 118594943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).