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

C11H10Cl2N4O — CID 779509

IUPAC4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C11H10Cl2N4O/c1-2-18-8-5-3-7(4-6-8)14-11-16-9(12)15-10(13)17-11/h3-6H,2H2,1H3,(H,14,15,16,17)
InChIKeyBUCOSULJIXFZHS-UHFFFAOYSA-N
MW285.13 g/mol
LogP3.32
Rot. Bonds4

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

4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine (PubChem CID 779509) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine
PubChem CID779509
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine
SMILESCCOc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C11H10Cl2N4O/c1-2-18-8-5-3-7(4-6-8)14-11-16-9(12)15-10(13)17-11/h3-6H,2H2,1H3,(H,14,15,16,17)
InChIKeyBUCOSULJIXFZHS-UHFFFAOYSA-N
XLogP3.32
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine (CID 779509) is 4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine is CCOc1ccc(Nc2nc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine?
The InChIKey is BUCOSULJIXFZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-2-18-8-5-3-7(4-6-8)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-(4-ethoxyphenyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine has a molecular weight of 285.13 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(4-ethoxyphenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 779509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).