2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide

C17H20BrN5O — CID 162669523

IUPAC2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide
SMILESBr.NC1=NC(c2ccccc2)N(OCCc2ccccc2)C(N)=N1
InChIInChI=1S/C17H19N5O.BrH/c18-16-20-15(14-9-5-2-6-10-14)22(17(19)21-16)23-12-11-13-7-3-1-4-8-13;/h1-10,15H,11-12H2,(H4,18,19,20,21);1H
InChIKeyAPGNVXNICCWZQZ-UHFFFAOYSA-N
MW390.29 g/mol
LogP2.38
Rot. Bonds5

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

2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide (PubChem CID 162669523) has the molecular formula C17H20BrN5O and a molecular weight of 390.29 g/mol. Its IUPAC name is 2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide.

Molecular Properties

Compound Name2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide
PubChem CID162669523
Molecular FormulaC17H20BrN5O
Molecular Weight390.29 g/mol
Exact Mass389.09
IUPAC Name2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide
SMILESBr.NC1=NC(c2ccccc2)N(OCCc2ccccc2)C(N)=N1
InChIInChI=1S/C17H19N5O.BrH/c18-16-20-15(14-9-5-2-6-10-14)22(17(19)21-16)23-12-11-13-7-3-1-4-8-13;/h1-10,15H,11-12H2,(H4,18,19,20,21);1H
InChIKeyAPGNVXNICCWZQZ-UHFFFAOYSA-N
XLogP2.38
TPSA89.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
The IUPAC name of 2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide (CID 162669523) is 2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide.
What is the SMILES notation for 2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
The canonical SMILES for 2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide is Br.NC1=NC(c2ccccc2)N(OCCc2ccccc2)C(N)=N1.
What is the InChIKey of 2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
The InChIKey is APGNVXNICCWZQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O.BrH/c18-16-20-15(14-9-5-2-6-10-14)22(17(19)21-16)23-12-11-13-7-3-1-4-8-13;/h1-10,15H,11-12H2,(H4,18,19,20,21);1H.
What are the key properties of 2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide?
2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide has a molecular weight of 390.29 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2-phenylethoxy)-2H-1,3,5-triazine-4,6-diamine;hydrobromide is sourced from PubChem (CID 162669523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).