6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C13H18N6O — CID 106484983

IUPAC6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(COc2cccc(CN)c2)n1
InChIInChI=1S/C13H18N6O/c1-19(2)13-17-11(16-12(15)18-13)8-20-10-5-3-4-9(6-10)7-14/h3-6H,7-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeySLHSUAKEOLQMNO-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.56
Rot. Bonds5

About 6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 106484983) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID106484983
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(COc2cccc(CN)c2)n1
InChIInChI=1S/C13H18N6O/c1-19(2)13-17-11(16-12(15)18-13)8-20-10-5-3-4-9(6-10)7-14/h3-6H,7-8,14H2,1-2H3,(H2,15,16,17,18)
InChIKeySLHSUAKEOLQMNO-UHFFFAOYSA-N
XLogP0.56
TPSA103.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[[4-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106484746
2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine
CID 167845932
2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine
CID 36994373
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
CID 25462028
3-amino-N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrazine-2-carboxamide
CID 136525918
N-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methoxy]phenyl]pyrrolidine-2-carboxamide
CID 119346030
6-[(2,4-difluorophenoxy)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 38934992
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 42577122
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl furan-2-carboxylate
CID 25316797
[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]methanamine
CID 20989430
6-[(4-methoxyphenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 177451531
[3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 60879242

Frequently Asked Questions

What is the IUPAC name of 6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 106484983) is 6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(COc2cccc(CN)c2)n1.
What is the InChIKey of 6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SLHSUAKEOLQMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-19(2)13-17-11(16-12(15)18-13)8-20-10-5-3-4-9(6-10)7-14/h3-6H,7-8,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 274.33 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106484983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).