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

C12H13ClN4O2 — CID 80878620

IUPAC4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C12H13ClN4O2/c1-7-4-5-9(8(13)6-7)19-12-16-10(14-2)15-11(17-12)18-3/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyXODXWVSITGGVJU-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.68
Rot. Bonds4

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

4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80878620) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
PubChem CID80878620
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(OC)nc(Oc2ccc(C)cc2Cl)n1
InChIInChI=1S/C12H13ClN4O2/c1-7-4-5-9(8(13)6-7)19-12-16-10(14-2)15-11(17-12)18-3/h4-6H,1-3H3,(H,14,15,16,17)
InChIKeyXODXWVSITGGVJU-UHFFFAOYSA-N
XLogP2.68
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-chloro-4-methylphenoxy)-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80878774
6-methoxy-2-N-(2-methoxy-5-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80762691
4-(2,3-dimethylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80864002
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
5-bromo-2-(2-chloro-4-methylphenoxy)-4-methoxypyrimidine
CID 106999317
4-(2-chloro-4-fluorophenoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 80867191
4-chloro-6-(4-chloro-2-methylphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80869238
[4-methoxy-6-(5-methyl-2-nitrophenoxy)-1,3,5-triazin-2-yl]hydrazine
CID 80912368
4-methoxy-N-methyl-6-(2-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80867250
6-(2,5-dichlorophenoxy)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 80862387
4-(2-butan-2-ylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 80874064

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine (CID 80878620) is 4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is CNc1nc(OC)nc(Oc2ccc(C)cc2Cl)n1.
What is the InChIKey of 4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is XODXWVSITGGVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-7-4-5-9(8(13)6-7)19-12-16-10(14-2)15-11(17-12)18-3/h4-6H,1-3H3,(H,14,15,16,17).
What are the key properties of 4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine?
4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 280.72 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-methylphenoxy)-6-methoxy-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80878620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).