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

C14H15N7O2 — CID 36994373

IUPAC2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(COc2cccc(-c3nnco3)c2)n1
InChIInChI=1S/C14H15N7O2/c1-21(2)14-18-11(17-13(15)19-14)7-22-10-5-3-4-9(6-10)12-20-16-8-23-12/h3-6,8H,7H2,1-2H3,(H2,15,17,18,19)
InChIKeyQEIPFWHQPNGDBG-UHFFFAOYSA-N
MW313.32 g/mol
LogP1.15
Rot. Bonds5

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

2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 36994373) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID36994373
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(COc2cccc(-c3nnco3)c2)n1
InChIInChI=1S/C14H15N7O2/c1-21(2)14-18-11(17-13(15)19-14)7-22-10-5-3-4-9(6-10)12-20-16-8-23-12/h3-6,8H,7H2,1-2H3,(H2,15,17,18,19)
InChIKeyQEIPFWHQPNGDBG-UHFFFAOYSA-N
XLogP1.15
TPSA116.08 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[[3-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106484983
2-N,2-N-dimethyl-6-[(5-methylnaphthalen-2-yl)oxymethyl]-1,3,5-triazine-2,4-diamine
CID 167845932
6-[[4-(aminomethyl)phenoxy]methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 106484746
3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propanoic acid
CID 39103106
2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid
CID 39103097
2-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]benzonitrile
CID 36994323
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
CID 25462028
[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 42577122
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
2-(3-methylphenyl)-1,3,4-oxadiazole
CID 22937238
N-cyclopropyl-2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 36993349

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine (CID 36994373) is 2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(COc2cccc(-c3nnco3)c2)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is QEIPFWHQPNGDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-21(2)14-18-11(17-13(15)19-14)7-22-10-5-3-4-9(6-10)12-20-16-8-23-12/h3-6,8H,7H2,1-2H3,(H2,15,17,18,19).
What are the key properties of 2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 313.32 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-[[3-(1,3,4-oxadiazol-2-yl)phenoxy]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 36994373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).