4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine

C13H21ClN4O — CID 55124787

IUPAC4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC2CCCCC2CC)n1
InChIInChI=1S/C13H21ClN4O/c1-3-9-7-5-6-8-10(9)15-12-16-11(14)17-13(18-12)19-4-2/h9-10H,3-8H2,1-2H3,(H,15,16,17,18)
InChIKeyCZFNWLHNCSDEKY-UHFFFAOYSA-N
MW284.79 g/mol
LogP3.30
Rot. Bonds5

About 4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine

4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine (PubChem CID 55124787) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine
PubChem CID55124787
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(NC2CCCCC2CC)n1
InChIInChI=1S/C13H21ClN4O/c1-3-9-7-5-6-8-10(9)15-12-16-11(14)17-13(18-12)19-4-2/h9-10H,3-8H2,1-2H3,(H,15,16,17,18)
InChIKeyCZFNWLHNCSDEKY-UHFFFAOYSA-N
XLogP3.30
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine (CID 55124787) is 4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(NC2CCCCC2CC)n1.
What is the InChIKey of 4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine?
The InChIKey is CZFNWLHNCSDEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-3-9-7-5-6-8-10(9)15-12-16-11(14)17-13(18-12)19-4-2/h9-10H,3-8H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine?
4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine has a molecular weight of 284.79 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethoxy-N-(2-ethylcyclohexyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).