6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C15H21ClN6O — CID 17468087

IUPAC6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(CCOc1ccc(Cl)cc1)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C15H21ClN6O/c1-21(2)15-19-13(18-14(17)20-15)10-22(3)8-9-23-12-6-4-11(16)5-7-12/h4-7H,8-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyAVEKZKBPUKFDIW-UHFFFAOYSA-N
MW336.83 g/mol
LogP1.68
Rot. Bonds7

About 6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 17468087) has the molecular formula C15H21ClN6O and a molecular weight of 336.83 g/mol. Its IUPAC name is 6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID17468087
Molecular FormulaC15H21ClN6O
Molecular Weight336.83 g/mol
Exact Mass336.15
IUPAC Name6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(CCOc1ccc(Cl)cc1)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C15H21ClN6O/c1-21(2)15-19-13(18-14(17)20-15)10-22(3)8-9-23-12-6-4-11(16)5-7-12/h4-7H,8-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyAVEKZKBPUKFDIW-UHFFFAOYSA-N
XLogP1.68
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.83
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 17468087) is 6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(CCOc1ccc(Cl)cc1)Cc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AVEKZKBPUKFDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN6O/c1-21(2)15-19-13(18-14(17)20-15)10-22(3)8-9-23-12-6-4-11(16)5-7-12/h4-7H,8-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 336.83 g/mol, XLogP of 1.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(4-chlorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17468087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).