2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine

C13H16BrN5O — CID 80760425

IUPAC2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2cccc(Br)c2)nc(OCC)n1
InChIInChI=1S/C13H16BrN5O/c1-3-15-11-17-12(19-13(18-11)20-4-2)16-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyOATSWVOCZIHKSY-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.21
Rot. Bonds6

About 2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine

2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80760425) has the molecular formula C13H16BrN5O and a molecular weight of 338.21 g/mol. Its IUPAC name is 2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID80760425
Molecular FormulaC13H16BrN5O
Molecular Weight338.21 g/mol
Exact Mass337.05
IUPAC Name2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Nc2cccc(Br)c2)nc(OCC)n1
InChIInChI=1S/C13H16BrN5O/c1-3-15-11-17-12(19-13(18-11)20-4-2)16-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyOATSWVOCZIHKSY-UHFFFAOYSA-N
XLogP3.21
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3-bromophenyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80736601
2-N-[(3-bromophenyl)methyl]-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80777916
2-N-(3-ethoxyphenyl)-4-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80785951
6-ethoxy-4-N-ethyl-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762181
4-ethoxy-N-ethyl-6-(3-methylphenoxy)-1,3,5-triazin-2-amine
CID 80869953
4-chloro-6-ethoxy-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 62858032
4-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 80738039
2-N-(3-bromo-5-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107580965
4-N-(3-bromophenyl)-2-N,2-N-dimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80736602
2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80794144
4-N-(3-bromophenyl)-2-N-ethylquinazoline-2,4-diamine
CID 80738031
6-N-(3-bromophenyl)-2-N-ethylpyridine-2,6-diamine
CID 80761080

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine (CID 80760425) is 2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Nc2cccc(Br)c2)nc(OCC)n1.
What is the InChIKey of 2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is OATSWVOCZIHKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN5O/c1-3-15-11-17-12(19-13(18-11)20-4-2)16-10-7-5-6-9(14)8-10/h5-8H,3-4H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 338.21 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-bromophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80760425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).