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

C18H24BrN5O2 — CID 70685040

IUPAC6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc2ccccc2c1
InChIInChI=1S/C18H23N5O2.BrH/c1-18(2)22-16(19)21-17(20)23(18)25-11-5-10-24-15-9-8-13-6-3-4-7-14(13)12-15;/h3-4,6-9,12H,5,10-11H2,1-2H3,(H4,19,20,21,22);1H
InChIKeyGOHSAKONNHZGQL-UHFFFAOYSA-N
MW422.33 g/mol
LogP2.80
Rot. Bonds6

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

6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide (PubChem CID 70685040) has the molecular formula C18H24BrN5O2 and a molecular weight of 422.33 g/mol. Its IUPAC name is 6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide.

Molecular Properties

Compound Name6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide
PubChem CID70685040
Molecular FormulaC18H24BrN5O2
Molecular Weight422.33 g/mol
Exact Mass421.11
IUPAC Name6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc2ccccc2c1
InChIInChI=1S/C18H23N5O2.BrH/c1-18(2)22-16(19)21-17(20)23(18)25-11-5-10-24-15-9-8-13-6-3-4-7-14(13)12-15;/h3-4,6-9,12H,5,10-11H2,1-2H3,(H4,19,20,21,22);1H
InChIKeyGOHSAKONNHZGQL-UHFFFAOYSA-N
XLogP2.80
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.33
LogP ≤ 52.80
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-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The IUPAC name of 6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide (CID 70685040) is 6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide.
What is the SMILES notation for 6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The canonical SMILES for 6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide is Br.CC1(C)N=C(N)N=C(N)N1OCCCOc1ccc2ccccc2c1.
What is the InChIKey of 6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
The InChIKey is GOHSAKONNHZGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2.BrH/c1-18(2)22-16(19)21-17(20)23(18)25-11-5-10-24-15-9-8-13-6-3-4-7-14(13)12-15;/h3-4,6-9,12H,5,10-11H2,1-2H3,(H4,19,20,21,22);1H.
What are the key properties of 6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide?
6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide has a molecular weight of 422.33 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(3-naphthalen-2-yloxypropoxy)-1,3,5-triazine-2,4-diamine;hydrobromide is sourced from PubChem (CID 70685040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).