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

C13H21ClN4O — CID 64731439

IUPAC4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCC1CC(C)CC(Oc2nc(Cl)nc(N(C)C)n2)C1
InChIInChI=1S/C13H21ClN4O/c1-8-5-9(2)7-10(6-8)19-13-16-11(14)15-12(17-13)18(3)4/h8-10H,5-7H2,1-4H3
InChIKeyAKUNXUKNKHHTEV-UHFFFAOYSA-N
MW284.79 g/mol
LogP2.79
Rot. Bonds3

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

4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 64731439) has the molecular formula C13H21ClN4O and a molecular weight of 284.79 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID64731439
Molecular FormulaC13H21ClN4O
Molecular Weight284.79 g/mol
Exact Mass284.14
IUPAC Name4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCC1CC(C)CC(Oc2nc(Cl)nc(N(C)C)n2)C1
InChIInChI=1S/C13H21ClN4O/c1-8-5-9(2)7-10(6-8)19-13-16-11(14)15-12(17-13)18(3)4/h8-10H,5-7H2,1-4H3
InChIKeyAKUNXUKNKHHTEV-UHFFFAOYSA-N
XLogP2.79
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine (CID 64731439) is 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine is CC1CC(C)CC(Oc2nc(Cl)nc(N(C)C)n2)C1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is AKUNXUKNKHHTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN4O/c1-8-5-9(2)7-10(6-8)19-13-16-11(14)15-12(17-13)18(3)4/h8-10H,5-7H2,1-4H3.
What are the key properties of 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 284.79 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylcyclohexyl)oxy-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 64731439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).