2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine

C12H13N3O3 — CID 121014438

IUPAC2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine
SMILESCOc1nc(OC)nc(Oc2cccc(C)c2)n1
InChIInChI=1S/C12H13N3O3/c1-8-5-4-6-9(7-8)18-12-14-10(16-2)13-11(15-12)17-3/h4-7H,1-3H3
InChIKeyQDVYGFVDNPEXSS-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.99
Rot. Bonds4

About 2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine

2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine (PubChem CID 121014438) has the molecular formula C12H13N3O3 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine
PubChem CID121014438
Molecular FormulaC12H13N3O3
Molecular Weight247.25 g/mol
Exact Mass247.10
IUPAC Name2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine
SMILESCOc1nc(OC)nc(Oc2cccc(C)c2)n1
InChIInChI=1S/C12H13N3O3/c1-8-5-4-6-9(7-8)18-12-14-10(16-2)13-11(15-12)17-3/h4-7H,1-3H3
InChIKeyQDVYGFVDNPEXSS-UHFFFAOYSA-N
XLogP1.99
TPSA66.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869241
2,4-bis(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazine
CID 139194322
2-(3-methylphenoxy)pyrimidine
CID 20603792
3-[(4,6-dimethoxy-1,3,5-triazin-2-yl)oxy]benzoic acid
CID 62861962
4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869953
4-(3-ethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80859995
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002
4-methoxy-6-(3-methoxyphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865867
2,4-dimethoxy-6-[4-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]-1,3,5-triazine
CID 175655392
5-fluoro-2,4-bis(3-methylphenoxy)pyrimidine
CID 679767
4-(3,4-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80863574
[4-(3,5-dimethylphenoxy)-6-methoxy-1,3,5-triazin-2-yl]hydrazine
CID 80915610

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine?
The IUPAC name of 2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine (CID 121014438) is 2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine.
What is the SMILES notation for 2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine?
The canonical SMILES for 2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine is COc1nc(OC)nc(Oc2cccc(C)c2)n1.
What is the InChIKey of 2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine?
The InChIKey is QDVYGFVDNPEXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3/c1-8-5-4-6-9(7-8)18-12-14-10(16-2)13-11(15-12)17-3/h4-7H,1-3H3.
What are the key properties of 2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine?
2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine has a molecular weight of 247.25 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-6-(3-methylphenoxy)-1,3,5-triazine is sourced from PubChem (CID 121014438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).