2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine

C12H12ClN3 — CID 163789104

IUPAC2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine
SMILESCc1cc(C)cc(-c2nc(C)nc(Cl)n2)c1
InChIInChI=1S/C12H12ClN3/c1-7-4-8(2)6-10(5-7)11-14-9(3)15-12(13)16-11/h4-6H,1-3H3
InChIKeyGKWFEBAZEYCIFK-UHFFFAOYSA-N
MW233.70 g/mol
LogP3.12
Rot. Bonds1

About 2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine

2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine (PubChem CID 163789104) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine
PubChem CID163789104
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine
SMILESCc1cc(C)cc(-c2nc(C)nc(Cl)n2)c1
InChIInChI=1S/C12H12ClN3/c1-7-4-8(2)6-10(5-7)11-14-9(3)15-12(13)16-11/h4-6H,1-3H3
InChIKeyGKWFEBAZEYCIFK-UHFFFAOYSA-N
XLogP3.12
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-6-(3-fluoro-5-methylphenyl)-1,3,5-triazine
CID 79690163
2-[[4,6-bis(3,5-dimethylphenyl)-1,3,5-triazin-2-yl]methyl]-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
CID 58299191
4-chloro-2-(3,5-dimethylphenyl)-5,7-dimethylquinazoline
CID 114589846
4-chloro-2-(3,5-dimethylphenyl)-6-ethyl-5-methylpyrimidine
CID 63549645
2-(3,4-dimethylphenyl)-4,6-bis(3,5-dimethylphenyl)-1,3,5-triazine
CID 118404990
4-chloro-2-(3,5-dimethylphenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidine
CID 63405558
5-bromo-4-chloro-2-(3,5-dimethylphenyl)pyrimidine
CID 66312284
4-(3,5-dimethylphenyl)-2,6-dimethylpyrimidine
CID 118345131
2-chloro-4-(3,5-dimethylphenyl)-5-methylpyrimidine
CID 79073426
2-[3,5-bis(4,6-dimethyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842963
2-[3-(4,6-dimethyl-1,3,5-triazin-2-yl)-5-(4-methyl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176842997
4-chloro-2-(3,5-dimethylphenyl)-5-iodo-6-(methoxymethyl)pyrimidine
CID 66313448

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine (CID 163789104) is 2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine is Cc1cc(C)cc(-c2nc(C)nc(Cl)n2)c1.
What is the InChIKey of 2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine?
The InChIKey is GKWFEBAZEYCIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c1-7-4-8(2)6-10(5-7)11-14-9(3)15-12(13)16-11/h4-6H,1-3H3.
What are the key properties of 2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine?
2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine has a molecular weight of 233.70 g/mol, XLogP of 3.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,5-dimethylphenyl)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 163789104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).