1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide

C14H22BrN5O2 — CID 134117027

IUPAC1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CCOc1ccc(CON2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C14H21N5O2.BrH/c1-4-20-11-7-5-10(6-8-11)9-21-19-13(16)17-12(15)18-14(19,2)3;/h5-8H,4,9H2,1-3H3,(H4,15,16,17,18);1H
InChIKeyYZAKGBFCDLQVPF-UHFFFAOYSA-N
MW372.27 g/mol
LogP1.78
Rot. Bonds5

About 1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide

1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (PubChem CID 134117027) has the molecular formula C14H22BrN5O2 and a molecular weight of 372.27 g/mol. Its IUPAC name is 1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.

Molecular Properties

Compound Name1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
PubChem CID134117027
Molecular FormulaC14H22BrN5O2
Molecular Weight372.27 g/mol
Exact Mass371.10
IUPAC Name1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
SMILESBr.CCOc1ccc(CON2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C14H21N5O2.BrH/c1-4-20-11-7-5-10(6-8-11)9-21-19-13(16)17-12(15)18-14(19,2)3;/h5-8H,4,9H2,1-3H3,(H4,15,16,17,18);1H
InChIKeyYZAKGBFCDLQVPF-UHFFFAOYSA-N
XLogP1.78
TPSA98.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(4-decoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3008692
6,6-dimethyl-1-[2-(4-methylphenoxy)ethoxy]-1,3,5-triazine-2,4-diamine
CID 134098766
1-[(3-fluorophenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134126228
1-[3-(4-chlorophenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 10871077
1-[[3-(3,4-dichlorophenyl)phenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117011
6,6-dimethyl-1-[(2S)-2-methyl-3-(4-phenylphenoxy)propoxy]-1,3,5-triazine-2,4-diamine
CID 44522017
1-heptoxy-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 3008677
1-[(2-chloro-5-phenylphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide
CID 134117018
10-(4-ethoxyphenyl)-6,8,10-triazaspiro[4.5]deca-6,8-diene-7,9-diamine;hydrochloride
CID 126460073
1-[[5-(2,6-difluorophenyl)-2-fluorophenyl]methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 134126209
6,6-dimethyl-1-[(2,4,5-trichlorophenoxy)methoxy]-1,3,5-triazine-2,4-diamine;hydrochloride
CID 44523150
2-[4-[(4-ethoxyphenoxy)methyl]phenyl]propan-1-amine
CID 105350465

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The IUPAC name of 1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide (CID 134117027) is 1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide.
What is the SMILES notation for 1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The canonical SMILES for 1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is Br.CCOc1ccc(CON2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
The InChIKey is YZAKGBFCDLQVPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2.BrH/c1-4-20-11-7-5-10(6-8-11)9-21-19-13(16)17-12(15)18-14(19,2)3;/h5-8H,4,9H2,1-3H3,(H4,15,16,17,18);1H.
What are the key properties of 1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide?
1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide has a molecular weight of 372.27 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethoxyphenyl)methoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrobromide is sourced from PubChem (CID 134117027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).