4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine

C12H12ClIN4O — CID 80882090

IUPAC4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C12H12ClIN4O/c1-2-7-15-11-16-10(13)17-12(18-11)19-9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyYRWXHRIPWVWWGR-UHFFFAOYSA-N
MW390.61 g/mol
LogP3.74
Rot. Bonds5

About 4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine

4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80882090) has the molecular formula C12H12ClIN4O and a molecular weight of 390.61 g/mol. Its IUPAC name is 4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine
PubChem CID80882090
Molecular FormulaC12H12ClIN4O
Molecular Weight390.61 g/mol
Exact Mass389.97
IUPAC Name4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(Cl)nc(Oc2ccc(I)cc2)n1
InChIInChI=1S/C12H12ClIN4O/c1-2-7-15-11-16-10(13)17-12(18-11)19-9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3,(H,15,16,17,18)
InChIKeyYRWXHRIPWVWWGR-UHFFFAOYSA-N
XLogP3.74
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.61
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-ethyl-6-(4-methoxyphenoxy)-1,3,5-triazin-2-amine
CID 80870348
4-chloro-6-(3,4-dimethylphenoxy)-N-ethyl-1,3,5-triazin-2-amine
CID 80863984
5-chloro-4-(4-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881106
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
4-chloro-6-(2-methylsulfanylphenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80879645
4-chloro-N-methyl-6-(4-propoxyphenoxy)-1,3,5-triazin-2-amine
CID 80882083
4-chloro-6-(4-ethoxyphenoxy)-N-methyl-1,3,5-triazin-2-amine
CID 80862587
4-ethoxy-6-(4-fluorophenoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80865729
4-(4-bromophenoxy)-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 80866586
4-chloro-6-(2-methylbutan-2-yloxy)-N-propyl-1,3,5-triazin-2-amine
CID 80862183
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
4-chloro-6-prop-2-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80867945

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine (CID 80882090) is 4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(Cl)nc(Oc2ccc(I)cc2)n1.
What is the InChIKey of 4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is YRWXHRIPWVWWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClIN4O/c1-2-7-15-11-16-10(13)17-12(18-11)19-9-5-3-8(14)4-6-9/h3-6H,2,7H2,1H3,(H,15,16,17,18).
What are the key properties of 4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine?
4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 390.61 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-iodophenoxy)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80882090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).