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

C11H11ClN4O2 — CID 83240805

IUPAC4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(OC)cc(-c2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C11H11ClN4O2/c1-17-7-3-6(4-8(5-7)18-2)9-14-10(12)16-11(13)15-9/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyHJRYTKLEXXZCJM-UHFFFAOYSA-N
MW266.69 g/mol
LogP1.79
Rot. Bonds3

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

4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 83240805) has the molecular formula C11H11ClN4O2 and a molecular weight of 266.69 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID83240805
Molecular FormulaC11H11ClN4O2
Molecular Weight266.69 g/mol
Exact Mass266.06
IUPAC Name4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCOc1cc(OC)cc(-c2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C11H11ClN4O2/c1-17-7-3-6(4-8(5-7)18-2)9-14-10(12)16-11(13)15-9/h3-5H,1-2H3,(H2,13,14,15,16)
InChIKeyHJRYTKLEXXZCJM-UHFFFAOYSA-N
XLogP1.79
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.69
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine (CID 83240805) is 4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine is COc1cc(OC)cc(-c2nc(N)nc(Cl)n2)c1.
What is the InChIKey of 4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is HJRYTKLEXXZCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4O2/c1-17-7-3-6(4-8(5-7)18-2)9-14-10(12)16-11(13)15-9/h3-5H,1-2H3,(H2,13,14,15,16).
What are the key properties of 4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine?
4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 266.69 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).