4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine

C11H10Cl2N4 — CID 19420351

IUPAC4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine
SMILESCCc1ccccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H10Cl2N4/c1-2-7-5-3-4-6-8(7)14-11-16-9(12)15-10(13)17-11/h3-6H,2H2,1H3,(H,14,15,16,17)
InChIKeyOQEQJLBAAAEZBN-UHFFFAOYSA-N
MW269.14 g/mol
LogP3.48
Rot. Bonds3

About 4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine (PubChem CID 19420351) has the molecular formula C11H10Cl2N4 and a molecular weight of 269.14 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine
PubChem CID19420351
Molecular FormulaC11H10Cl2N4
Molecular Weight269.14 g/mol
Exact Mass268.03
IUPAC Name4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine
SMILESCCc1ccccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C11H10Cl2N4/c1-2-7-5-3-4-6-8(7)14-11-16-9(12)15-10(13)17-11/h3-6H,2H2,1H3,(H,14,15,16,17)
InChIKeyOQEQJLBAAAEZBN-UHFFFAOYSA-N
XLogP3.48
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine (CID 19420351) is 4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine is CCc1ccccc1Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine?
The InChIKey is OQEQJLBAAAEZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4/c1-2-7-5-3-4-6-8(7)14-11-16-9(12)15-10(13)17-11/h3-6H,2H2,1H3,(H,14,15,16,17).
What are the key properties of 4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine has a molecular weight of 269.14 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-ethylphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 19420351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).