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

C14H17BrN6 — CID 90645145

IUPAC4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C14H17BrN6/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)
InChIKeyAOUFPRQIPFCXPL-UHFFFAOYSA-N
MW349.24 g/mol
LogP1.64
Rot. Bonds2

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

4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (PubChem CID 90645145) has the molecular formula C14H17BrN6 and a molecular weight of 349.24 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
PubChem CID90645145
Molecular FormulaC14H17BrN6
Molecular Weight349.24 g/mol
Exact Mass348.07
IUPAC Name4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
SMILESCN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1
InChIInChI=1S/C14H17BrN6/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)
InChIKeyAOUFPRQIPFCXPL-UHFFFAOYSA-N
XLogP1.64
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.24
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine (CID 90645145) is 4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is CN1CCN(c2nc(N)nc(-c3ccc(Br)cc3)n2)CC1.
What is the InChIKey of 4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is AOUFPRQIPFCXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN6/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-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine?
4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 349.24 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90645145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).