1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide

C13H20BrN5O — CID 44522491

IUPAC1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide
SMILESBr.CCCC1N=C(N)N=C(N)N1c1ccc(OC)cc1
InChIInChI=1S/C13H19N5O.BrH/c1-3-4-11-16-12(14)17-13(15)18(11)9-5-7-10(19-2)8-6-9;/h5-8,11H,3-4H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyGTUSUPIUSCFPHV-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.85
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide

1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide (PubChem CID 44522491) has the molecular formula C13H20BrN5O and a molecular weight of 342.24 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide
PubChem CID44522491
Molecular FormulaC13H20BrN5O
Molecular Weight342.24 g/mol
Exact Mass341.09
IUPAC Name1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide
SMILESBr.CCCC1N=C(N)N=C(N)N1c1ccc(OC)cc1
InChIInChI=1S/C13H19N5O.BrH/c1-3-4-11-16-12(14)17-13(15)18(11)9-5-7-10(19-2)8-6-9;/h5-8,11H,3-4H2,1-2H3,(H4,14,15,16,17);1H
InChIKeyGTUSUPIUSCFPHV-UHFFFAOYSA-N
XLogP1.85
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide 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 1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
The IUPAC name of 1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide (CID 44522491) is 1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
The canonical SMILES for 1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide is Br.CCCC1N=C(N)N=C(N)N1c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
The InChIKey is GTUSUPIUSCFPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.BrH/c1-3-4-11-16-12(14)17-13(15)18(11)9-5-7-10(19-2)8-6-9;/h5-8,11H,3-4H2,1-2H3,(H4,14,15,16,17);1H.
What are the key properties of 1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide has a molecular weight of 342.24 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-propyl-2H-1,3,5-triazine-4,6-diamine;hydrobromide is sourced from PubChem (CID 44522491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).