4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine

C13H15BrN4 — CID 63867311

IUPAC4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN4/c1-13(2,3)11-16-10(17-12(15)18-11)8-4-6-9(14)7-5-8/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeySYTATRUMEKUPFP-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.18
Rot. Bonds1

About 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine

4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine (PubChem CID 63867311) has the molecular formula C13H15BrN4 and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine
PubChem CID63867311
Molecular FormulaC13H15BrN4
Molecular Weight307.19 g/mol
Exact Mass306.05
IUPAC Name4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine
SMILESCC(C)(C)c1nc(N)nc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C13H15BrN4/c1-13(2,3)11-16-10(17-12(15)18-11)8-4-6-9(14)7-5-8/h4-7H,1-3H3,(H2,15,16,17,18)
InChIKeySYTATRUMEKUPFP-UHFFFAOYSA-N
XLogP3.18
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(4-bromophenyl)-6-tert-butyl-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-tert-butyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine (CID 63867311) is 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine is CC(C)(C)c1nc(N)nc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine?
The InChIKey is SYTATRUMEKUPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4/c1-13(2,3)11-16-10(17-12(15)18-11)8-4-6-9(14)7-5-8/h4-7H,1-3H3,(H2,15,16,17,18).
What are the key properties of 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine?
4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine has a molecular weight of 307.19 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-6-tert-butyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).