6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide

C14H22BrN5O — CID 134114490

IUPAC6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCCCc1ccccc1
InChIInChI=1S/C14H21N5O.BrH/c1-14(2)18-12(15)17-13(16)19(14)20-10-6-9-11-7-4-3-5-8-11;/h3-5,7-8H,6,9-10H2,1-2H3,(H4,15,16,17,18);1H
InChIKeySSEMVLHCXRTRPU-UHFFFAOYSA-N
MW356.27 g/mol
LogP1.81
Rot. Bonds5

About 6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide

6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide (PubChem CID 134114490) has the molecular formula C14H22BrN5O and a molecular weight of 356.27 g/mol. Its IUPAC name is 6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide.

Molecular Properties

Compound Name6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide
PubChem CID134114490
Molecular FormulaC14H22BrN5O
Molecular Weight356.27 g/mol
Exact Mass355.10
IUPAC Name6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCCCc1ccccc1
InChIInChI=1S/C14H21N5O.BrH/c1-14(2)18-12(15)17-13(16)19(14)20-10-6-9-11-7-4-3-5-8-11;/h3-5,7-8H,6,9-10H2,1-2H3,(H4,15,16,17,18);1H
InChIKeySSEMVLHCXRTRPU-UHFFFAOYSA-N
XLogP1.81
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-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 6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The IUPAC name of 6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide (CID 134114490) is 6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide.
What is the SMILES notation for 6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The canonical SMILES for 6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide is Br.CC1(C)N=C(N)N=C(N)N1OCCCc1ccccc1.
What is the InChIKey of 6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The InChIKey is SSEMVLHCXRTRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O.BrH/c1-14(2)18-12(15)17-13(16)19(14)20-10-6-9-11-7-4-3-5-8-11;/h3-5,7-8H,6,9-10H2,1-2H3,(H4,15,16,17,18);1H.
What are the key properties of 6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide has a molecular weight of 356.27 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(3-phenylpropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide is sourced from PubChem (CID 134114490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).