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

C14H18ClFN6 — CID 34693978

IUPAC6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1nc(N)nc(N(C)C)n1)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN6/c1-21(2)14-19-12(18-13(17)20-14)8-22(3)7-9-10(15)5-4-6-11(9)16/h4-6H,7-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyXWTLVOQFBATXFG-UHFFFAOYSA-N
MW324.79 g/mol
LogP1.94
Rot. Bonds5

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

6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 34693978) has the molecular formula C14H18ClFN6 and a molecular weight of 324.79 g/mol. Its IUPAC name is 6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID34693978
Molecular FormulaC14H18ClFN6
Molecular Weight324.79 g/mol
Exact Mass324.13
IUPAC Name6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1nc(N)nc(N(C)C)n1)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H18ClFN6/c1-21(2)14-19-12(18-13(17)20-14)8-22(3)7-9-10(15)5-4-6-11(9)16/h4-6H,7-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyXWTLVOQFBATXFG-UHFFFAOYSA-N
XLogP1.94
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 34693978) is 6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(Cc1nc(N)nc(N(C)C)n1)Cc1c(F)cccc1Cl.
What is the InChIKey of 6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XWTLVOQFBATXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN6/c1-21(2)14-19-12(18-13(17)20-14)8-22(3)7-9-10(15)5-4-6-11(9)16/h4-6H,7-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 324.79 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2-chloro-6-fluorophenyl)methyl-methylamino]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 34693978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).