2-chloro-4-methyl-6-phenoxy-1,3,5-triazine

C10H8ClN3O — CID 12870883

IUPAC2-chloro-4-methyl-6-phenoxy-1,3,5-triazine
SMILESCc1nc(Cl)nc(Oc2ccccc2)n1
InChIInChI=1S/C10H8ClN3O/c1-7-12-9(11)14-10(13-7)15-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyRZTYQCKBGLHUJT-UHFFFAOYSA-N
MW221.65 g/mol
LogP2.63
Rot. Bonds2

About 2-chloro-4-methyl-6-phenoxy-1,3,5-triazine

2-chloro-4-methyl-6-phenoxy-1,3,5-triazine (PubChem CID 12870883) has the molecular formula C10H8ClN3O and a molecular weight of 221.65 g/mol. Its IUPAC name is 2-chloro-4-methyl-6-phenoxy-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-methyl-6-phenoxy-1,3,5-triazine
PubChem CID12870883
Molecular FormulaC10H8ClN3O
Molecular Weight221.65 g/mol
Exact Mass221.04
IUPAC Name2-chloro-4-methyl-6-phenoxy-1,3,5-triazine
SMILESCc1nc(Cl)nc(Oc2ccccc2)n1
InChIInChI=1S/C10H8ClN3O/c1-7-12-9(11)14-10(13-7)15-8-5-3-2-4-6-8/h2-6H,1H3
InChIKeyRZTYQCKBGLHUJT-UHFFFAOYSA-N
XLogP2.63
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.65
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Phenoxymethyl)-1,3,5-triazine-2,4-diamine
CID 827417
2-(4-Methoxystyryl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 170671
2-Isopropenyl-4,6-diphenoxy-1,3,5-triazine
CID 340916
4-Methyl-6-(phenoxymethyl)-1,3,5-triazin-2-amine
CID 2746286
6-Phenoxy-1,3,5-triazine-2,4-diamine
CID 15111
2-(4-Chlorophenoxy)-4-methyl-6-(trichloromethyl)-1,3,5-triazine
CID 76331009
1,3,5-Triazin-2-amine, 4-methoxy-6-(phenoxymethyl)-
CID 199987
2,4-Dichloro-6-(4-fluorophenoxy)-1,3,5-triazine
CID 2782796
2-(3-Iodophenoxy)-4,6-dimethoxy-1,3,5-triazine
CID 62859977
4-chloro-N,N-diethyl-6-(4-fluorophenoxy)-1,3,5-triazin-2-amine
CID 15569239
2,4-Dichloro-6-phenoxy-1,3,5-triazine
CID 20807
2-((1E)-2-(4-Methoxyphenyl)ethenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 6014381

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-6-phenoxy-1,3,5-triazine?
The IUPAC name of 2-chloro-4-methyl-6-phenoxy-1,3,5-triazine (CID 12870883) is 2-chloro-4-methyl-6-phenoxy-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-methyl-6-phenoxy-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-methyl-6-phenoxy-1,3,5-triazine is Cc1nc(Cl)nc(Oc2ccccc2)n1.
What is the InChIKey of 2-chloro-4-methyl-6-phenoxy-1,3,5-triazine?
The InChIKey is RZTYQCKBGLHUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O/c1-7-12-9(11)14-10(13-7)15-8-5-3-2-4-6-8/h2-6H,1H3.
What are the key properties of 2-chloro-4-methyl-6-phenoxy-1,3,5-triazine?
2-chloro-4-methyl-6-phenoxy-1,3,5-triazine has a molecular weight of 221.65 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-6-phenoxy-1,3,5-triazine is sourced from PubChem (CID 12870883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).