4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine

C11H17ClN4O — CID 62869254

IUPAC4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(OC2CCCCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-16(2)10-13-9(12)14-11(15-10)17-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyKAYQHAJUXCOGDR-UHFFFAOYSA-N
MW256.74 g/mol
LogP2.30
Rot. Bonds3

About 4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine

4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 62869254) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID62869254
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(OC2CCCCC2)n1
InChIInChI=1S/C11H17ClN4O/c1-16(2)10-13-9(12)14-11(15-10)17-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3
InChIKeyKAYQHAJUXCOGDR-UHFFFAOYSA-N
XLogP2.30
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine (CID 62869254) is 4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(OC2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is KAYQHAJUXCOGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-16(2)10-13-9(12)14-11(15-10)17-8-6-4-3-5-7-8/h8H,3-7H2,1-2H3.
What are the key properties of 4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 256.74 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclohexyloxy-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62869254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).