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

C17H22BrN5O2 — CID 44522893

IUPAC6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H21N5O2.BrH/c1-17(2)21-15(18)20-16(19)22(17)24-10-9-23-14-8-7-12-5-3-4-6-13(12)11-14;/h3-8,11H,9-10H2,1-2H3,(H4,18,19,20,21);1H
InChIKeyGXTGPBVHPFVAQA-UHFFFAOYSA-N
MW408.30 g/mol
LogP2.41
Rot. Bonds5

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

6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide (PubChem CID 44522893) has the molecular formula C17H22BrN5O2 and a molecular weight of 408.30 g/mol. Its IUPAC name is 6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide.

Molecular Properties

Compound Name6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide
PubChem CID44522893
Molecular FormulaC17H22BrN5O2
Molecular Weight408.30 g/mol
Exact Mass407.10
IUPAC Name6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H21N5O2.BrH/c1-17(2)21-15(18)20-16(19)22(17)24-10-9-23-14-8-7-12-5-3-4-6-13(12)11-14;/h3-8,11H,9-10H2,1-2H3,(H4,18,19,20,21);1H
InChIKeyGXTGPBVHPFVAQA-UHFFFAOYSA-N
XLogP2.41
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.30
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The IUPAC name of 6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide (CID 44522893) is 6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide.
What is the SMILES notation for 6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The canonical SMILES for 6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide is Br.CC1(C)N=C(N)N=C(N)N1OCCOc1ccc2ccccc2c1.
What is the InChIKey of 6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The InChIKey is GXTGPBVHPFVAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2.BrH/c1-17(2)21-15(18)20-16(19)22(17)24-10-9-23-14-8-7-12-5-3-4-6-13(12)11-14;/h3-8,11H,9-10H2,1-2H3,(H4,18,19,20,21);1H.
What are the key properties of 6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide has a molecular weight of 408.30 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(2-naphthalen-2-yloxyethoxy)-1,3,5-triazine-2,4-diamine;hydrobromide is sourced from PubChem (CID 44522893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).