4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine

C14H17ClN4O — CID 62869809

IUPAC4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
SMILESCc1cc(C)c(C)c(Oc2nc(Cl)nc(N(C)C)n2)c1
InChIInChI=1S/C14H17ClN4O/c1-8-6-9(2)10(3)11(7-8)20-14-17-12(15)16-13(18-14)19(4)5/h6-7H,1-5H3
InChIKeyVWUHWFDJTFJNCK-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine

4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 62869809) has the molecular formula C14H17ClN4O and a molecular weight of 292.77 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
PubChem CID62869809
Molecular FormulaC14H17ClN4O
Molecular Weight292.77 g/mol
Exact Mass292.11
IUPAC Name4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
SMILESCc1cc(C)c(C)c(Oc2nc(Cl)nc(N(C)C)n2)c1
InChIInChI=1S/C14H17ClN4O/c1-8-6-9(2)10(3)11(7-8)20-14-17-12(15)16-13(18-14)19(4)5/h6-7H,1-5H3
InChIKeyVWUHWFDJTFJNCK-UHFFFAOYSA-N
XLogP3.31
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-6-(2,4-dimethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62868271
4-chloro-N,N-dimethyl-6-(2-methylphenoxy)-1,3,5-triazin-2-amine
CID 62869628
4-chloro-N-ethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine
CID 80882080
4-(2-bromo-4-methoxyphenoxy)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 104707062
4-chloro-6-(2,4-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62868272
2,4-dichloro-5-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
CID 59184665
4-chloro-6-(3-chloro-4-fluorophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 63877958
6-(2,4-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80863196
6-(2,5-dimethylphenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80864385
4-chloro-6-(4-ethylphenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 62870135
4-chloro-5-methyl-2-propan-2-yl-6-(2,3,5-trimethylphenoxy)pyrimidine
CID 80973408
4-chloro-6-(3,5-dimethylphenoxy)-N,N-diethyl-1,3,5-triazin-2-amine
CID 62868606

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine (CID 62869809) is 4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine is Cc1cc(C)c(C)c(Oc2nc(Cl)nc(N(C)C)n2)c1.
What is the InChIKey of 4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is VWUHWFDJTFJNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4O/c1-8-6-9(2)10(3)11(7-8)20-14-17-12(15)16-13(18-14)19(4)5/h6-7H,1-5H3.
What are the key properties of 4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine?
4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 292.77 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-6-(2,3,5-trimethylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).