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

C13H16IN5O — CID 80880955

IUPAC2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C13H16IN5O/c1-3-19(4-2)12-16-11(15)17-13(18-12)20-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyWAIXTHQLVJSTFO-UHFFFAOYSA-N
MW385.21 g/mol
LogP2.70
Rot. Bonds5

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

2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 80880955) has the molecular formula C13H16IN5O and a molecular weight of 385.21 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine
PubChem CID80880955
Molecular FormulaC13H16IN5O
Molecular Weight385.21 g/mol
Exact Mass385.04
IUPAC Name2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C13H16IN5O/c1-3-19(4-2)12-16-11(15)17-13(18-12)20-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyWAIXTHQLVJSTFO-UHFFFAOYSA-N
XLogP2.70
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.21
LogP ≤ 52.70
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-(4-fluorophenoxy)-1,3,5-triazine-2,4-diamine
CID 80869066
2-N,2-N-diethyl-6-(3-iodophenoxy)-1,3,5-triazine-2,4-diamine
CID 80881035
2-N,2-N-diethyl-6-(3-fluoro-4-methylphenoxy)-1,3,5-triazine-2,4-diamine
CID 107171716
ethyl 4-[[4-(diethylamino)-6-(4-ethoxycarbonylphenoxy)-1,3,5-triazin-2-yl]oxy]benzoate
CID 23265613
6-(4-chlorophenoxy)-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866060
2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
CID 80865247
4-ethoxy-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870272
6-(3-iodophenoxy)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80881203
2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 80862184
2-N,2-N-diethyl-6-(4-fluorophenoxy)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80866080
2-[4-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]oxy]phenyl]acetonitrile
CID 80864618
4-hydrazinyl-6-(4-iodophenoxy)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80916652

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine (CID 80880955) is 2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(Oc2ccc(I)cc2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is WAIXTHQLVJSTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN5O/c1-3-19(4-2)12-16-11(15)17-13(18-12)20-10-7-5-9(14)6-8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 385.21 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-(4-iodophenoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80880955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).