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

C13H21ClN4O — CID 62869257

IUPAC4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCC1CCCCC1Oc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C13H21ClN4O/c1-4-9-7-5-6-8-10(9)19-13-16-11(14)15-12(17-13)18(2)3/h9-10H,4-8H2,1-3H3
InChIKeyHQLPLJSZQXRSLD-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.94
Rot. Bonds4

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

4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 62869257) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID62869257
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCCC1CCCCC1Oc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C13H21ClN4O/c1-4-9-7-5-6-8-10(9)19-13-16-11(14)15-12(17-13)18(2)3/h9-10H,4-8H2,1-3H3
InChIKeyHQLPLJSZQXRSLD-UHFFFAOYSA-N
XLogP2.94
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine (CID 62869257) is 4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine is CCC1CCCCC1Oc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of 4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is HQLPLJSZQXRSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-4-9-7-5-6-8-10(9)19-13-16-11(14)15-12(17-13)18(2)3/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 284.79 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2-ethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).