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

C12H19ClN4O — CID 55124337

IUPAC4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(OCC2CCCCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-17(2)11-14-10(13)15-12(16-11)18-8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeyKLEPYVHAYKBJLW-UHFFFAOYSA-N
MW270.76 g/mol
LogP2.55
Rot. Bonds4

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

4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (PubChem CID 55124337) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
PubChem CID55124337
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
SMILESCN(C)c1nc(Cl)nc(OCC2CCCCC2)n1
InChIInChI=1S/C12H19ClN4O/c1-17(2)11-14-10(13)15-12(16-11)18-8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3
InChIKeyKLEPYVHAYKBJLW-UHFFFAOYSA-N
XLogP2.55
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine (CID 55124337) is 4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is CN(C)c1nc(Cl)nc(OCC2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
The InChIKey is KLEPYVHAYKBJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-17(2)11-14-10(13)15-12(16-11)18-8-9-6-4-3-5-7-9/h9H,3-8H2,1-2H3.
What are the key properties of 4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine?
4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine has a molecular weight of 270.76 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cyclohexylmethoxy)-N,N-dimethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).