4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

C13H16N4O2 — CID 80864002

IUPAC4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Oc2cccc(C)c2C)n1
InChIInChI=1S/C13H16N4O2/c1-8-6-5-7-10(9(8)2)19-13-16-11(14-3)15-12(17-13)18-4/h5-7H,1-4H3,(H,14,15,16,17)
InChIKeyVJZPQYSKZFYEFE-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.33
Rot. Bonds4

About 4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine

4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80864002) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80864002
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Oc2cccc(C)c2C)n1
InChIInChI=1S/C13H16N4O2/c1-8-6-5-7-10(9(8)2)19-13-16-11(14-3)15-12(17-13)18-4/h5-7H,1-4H3,(H,14,15,16,17)
InChIKeyVJZPQYSKZFYEFE-UHFFFAOYSA-N
XLogP2.33
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2,3-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863930
4-methoxy-N-methyl-6-(2-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80867250
4-chloro-N-methyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869398
4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80878620
4-(2-butan-2-ylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80874064
4-(2-methoxyphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80867540
4-(2,3-dimethylphenoxy)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80863931
4-(2,3-dimethylphenoxy)-6-methoxypyrimidine
CID 18736651
6-(2,3-difluorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80880335
N-ethyl-4-methoxy-6-[(2-methyl-3-pyridinyl)oxy]-1,3,5-triazin-2-amine
CID 80882368
4-methoxy-N-methyl-6-(4-propylphenoxy)-1,3,5-triazin-2-amine
CID 80878901
6-methoxy-4-N-methyl-2-N-[(6-methyl-2-pyridinyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80821680

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 80864002) is 4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(Oc2cccc(C)c2C)n1.
What is the InChIKey of 4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is VJZPQYSKZFYEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-8-6-5-7-10(9(8)2)19-13-16-11(14-3)15-12(17-13)18-4/h5-7H,1-4H3,(H,14,15,16,17).
What are the key properties of 4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 260.30 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80864002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).