4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine

C11H11ClN4O — CID 72547522

IUPAC4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine
SMILESCc1cccc(C)c1Oc1nc(N)nc(Cl)n1
InChIInChI=1S/C11H11ClN4O/c1-6-4-3-5-7(2)8(6)17-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyXFOAHIVSIVEXRX-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.52
Rot. Bonds2

About 4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine

4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine (PubChem CID 72547522) has the molecular formula C11H11ClN4O and a molecular weight of 250.69 g/mol. Its IUPAC name is 4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine
PubChem CID72547522
Molecular FormulaC11H11ClN4O
Molecular Weight250.69 g/mol
Exact Mass250.06
IUPAC Name4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine
SMILESCc1cccc(C)c1Oc1nc(N)nc(Cl)n1
InChIInChI=1S/C11H11ClN4O/c1-6-4-3-5-7(2)8(6)17-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyXFOAHIVSIVEXRX-UHFFFAOYSA-N
XLogP2.52
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine (CID 72547522) is 4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine is Cc1cccc(C)c1Oc1nc(N)nc(Cl)n1.
What is the InChIKey of 4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine?
The InChIKey is XFOAHIVSIVEXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O/c1-6-4-3-5-7(2)8(6)17-11-15-9(12)14-10(13)16-11/h3-5H,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine?
4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine has a molecular weight of 250.69 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,6-dimethylphenoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 72547522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).