2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

C11H11BrClN5O — CID 80825083

IUPAC2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H11BrClN5O/c1-2-19-11-17-9(14)16-10(18-11)15-8-5-6(12)3-4-7(8)13/h3-5H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeySLAWXIDMMUESPZ-UHFFFAOYSA-N
MW344.60 g/mol
LogP3.01
Rot. Bonds4

About 2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine

2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (PubChem CID 80825083) has the molecular formula C11H11BrClN5O and a molecular weight of 344.60 g/mol. Its IUPAC name is 2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
PubChem CID80825083
Molecular FormulaC11H11BrClN5O
Molecular Weight344.60 g/mol
Exact Mass342.98
IUPAC Name2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(N)nc(Nc2cc(Br)ccc2Cl)n1
InChIInChI=1S/C11H11BrClN5O/c1-2-19-11-17-9(14)16-10(18-11)15-8-5-6(12)3-4-7(8)13/h3-5H,2H2,1H3,(H3,14,15,16,17,18)
InChIKeySLAWXIDMMUESPZ-UHFFFAOYSA-N
XLogP3.01
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.60
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80760788
2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 107623632
2-N-(2,5-dichlorophenyl)-6-ethoxy-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768130
N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 62858053
2-N-(3-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80761343
6-ethoxy-2-N-(2-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80763478
6-ethoxy-2-N-(2-fluoro-4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80754761
2-N-[(3-bromophenyl)methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80794144
2-N-(3-bromo-5-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 82862288
N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 81275542
2-N-(4-bromo-2-methylphenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80759920
2-N-(4-bromo-2,3-dichlorophenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 107794817

Frequently Asked Questions

What is the IUPAC name of 2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine (CID 80825083) is 2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is CCOc1nc(N)nc(Nc2cc(Br)ccc2Cl)n1.
What is the InChIKey of 2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is SLAWXIDMMUESPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClN5O/c1-2-19-11-17-9(14)16-10(18-11)15-8-5-6(12)3-4-7(8)13/h3-5H,2H2,1H3,(H3,14,15,16,17,18).
What are the key properties of 2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine?
2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 344.60 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80825083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).