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

C15H21FN6O — CID 34722533

IUPAC6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(CCOc1ccccc1F)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C15H21FN6O/c1-21(2)15-19-13(18-14(17)20-15)10-22(3)8-9-23-12-7-5-4-6-11(12)16/h4-7H,8-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyJFCGTDYMTWRXEY-UHFFFAOYSA-N
MW320.37 g/mol
LogP1.17
Rot. Bonds7

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

6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 34722533) has the molecular formula C15H21FN6O and a molecular weight of 320.37 g/mol. Its IUPAC name is 6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID34722533
Molecular FormulaC15H21FN6O
Molecular Weight320.37 g/mol
Exact Mass320.18
IUPAC Name6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(CCOc1ccccc1F)Cc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C15H21FN6O/c1-21(2)15-19-13(18-14(17)20-15)10-22(3)8-9-23-12-7-5-4-6-11(12)16/h4-7H,8-10H2,1-3H3,(H2,17,18,19,20)
InChIKeyJFCGTDYMTWRXEY-UHFFFAOYSA-N
XLogP1.17
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 34722533) is 6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(CCOc1ccccc1F)Cc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JFCGTDYMTWRXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN6O/c1-21(2)15-19-13(18-14(17)20-15)10-22(3)8-9-23-12-7-5-4-6-11(12)16/h4-7H,8-10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 320.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(2-fluorophenoxy)ethyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 34722533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).