4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine

C12H19ClN4O — CID 80861304

IUPAC4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine
SMILESCC1CC(Oc2nc(N)nc(Cl)n2)CC(C)(C)C1
InChIInChI=1S/C12H19ClN4O/c1-7-4-8(6-12(2,3)5-7)18-11-16-9(13)15-10(14)17-11/h7-8H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyIXUQLIAXMUCQCT-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.70
Rot. Bonds2

About 4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine

4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine (PubChem CID 80861304) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine
PubChem CID80861304
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine
SMILESCC1CC(Oc2nc(N)nc(Cl)n2)CC(C)(C)C1
InChIInChI=1S/C12H19ClN4O/c1-7-4-8(6-12(2,3)5-7)18-11-16-9(13)15-10(14)17-11/h7-8H,4-6H2,1-3H3,(H2,14,15,16,17)
InChIKeyIXUQLIAXMUCQCT-UHFFFAOYSA-N
XLogP2.70
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine (CID 80861304) is 4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine is CC1CC(Oc2nc(N)nc(Cl)n2)CC(C)(C)C1.
What is the InChIKey of 4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine?
The InChIKey is IXUQLIAXMUCQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-7-4-8(6-12(2,3)5-7)18-11-16-9(13)15-10(14)17-11/h7-8H,4-6H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine?
4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine has a molecular weight of 270.76 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,3,5-trimethylcyclohexyl)oxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80861304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).