4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

C14H17IN6 — CID 90645152

IUPAC4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccc(I)cc3)n2)CC1
InChIInChI=1S/C14H17IN6/c1-20-6-8-21(9-7-20)14-18-12(17-13(16)19-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,17,18,19)
InChIKeyAIOXPEONIJLZQJ-UHFFFAOYSA-N
MW396.24 g/mol
LogP1.48
Rot. Bonds2

About 4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine

4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 90645152) has the molecular formula C14H17IN6 and a molecular weight of 396.24 g/mol. Its IUPAC name is 4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID90645152
Molecular FormulaC14H17IN6
Molecular Weight396.24 g/mol
Exact Mass396.06
IUPAC Name4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccc(I)cc3)n2)CC1
InChIInChI=1S/C14H17IN6/c1-20-6-8-21(9-7-20)14-18-12(17-13(16)19-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,17,18,19)
InChIKeyAIOXPEONIJLZQJ-UHFFFAOYSA-N
XLogP1.48
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.24
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 90645152) is 4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(-c3ccc(I)cc3)n2)CC1.
What is the InChIKey of 4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is AIOXPEONIJLZQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17IN6/c1-20-6-8-21(9-7-20)14-18-12(17-13(16)19-14)10-2-4-11(15)5-3-10/h2-5H,6-9H2,1H3,(H2,16,17,18,19).
What are the key properties of 4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 396.24 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90645152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).