6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C11H12IN5O — CID 80881203

IUPAC6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Oc2cccc(I)c2)n1
InChIInChI=1S/C11H12IN5O/c1-17(2)10-14-9(13)15-11(16-10)18-8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyXRYZOXCZELVAPA-UHFFFAOYSA-N
MW357.16 g/mol
LogP1.92
Rot. Bonds3

About 6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80881203) has the molecular formula C11H12IN5O and a molecular weight of 357.16 g/mol. Its IUPAC name is 6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID80881203
Molecular FormulaC11H12IN5O
Molecular Weight357.16 g/mol
Exact Mass357.01
IUPAC Name6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Oc2cccc(I)c2)n1
InChIInChI=1S/C11H12IN5O/c1-17(2)10-14-9(13)15-11(16-10)18-8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKeyXRYZOXCZELVAPA-UHFFFAOYSA-N
XLogP1.92
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-N,2-N-diethyl-6-(3-iodophenoxy)-1,3,5-triazine-2,4-diamine
CID 80881035
6-(3-chlorophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80870325
2-N,2-N-dimethyl-6-[3-(trifluoromethyl)phenoxy]-1,3,5-triazine-2,4-diamine
CID 80874520
2-N,2-N-dimethyl-6-(3-nitrophenoxy)-1,3,5-triazine-2,4-diamine
CID 80870950
6-(3,5-dimethoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80867209
2-N-(3-methoxyphenyl)-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815811
6-(2-bromo-4-methoxyphenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104708770
4-methoxy-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869241
2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine
CID 80880955
2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
CID 80864618
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
6-(2,4-dibromophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80877262

Frequently Asked Questions

What is the IUPAC name of 6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 80881203) is 6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(Oc2cccc(I)c2)n1.
What is the InChIKey of 6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XRYZOXCZELVAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12IN5O/c1-17(2)10-14-9(13)15-11(16-10)18-8-5-3-4-7(12)6-8/h3-6H,1-2H3,(H2,13,14,15,16).
What are the key properties of 6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 357.16 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80881203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).