N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine

C12H12BrClN4O2 — CID 62858053

IUPACN-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(Nc2cc(Br)ccc2OC)n1
InChIInChI=1S/C12H12BrClN4O2/c1-3-20-12-17-10(14)16-11(18-12)15-8-6-7(13)4-5-9(8)19-2/h4-6H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyCWGGZAOGAAZJIC-UHFFFAOYSA-N
MW359.61 g/mol
LogP3.44
Rot. Bonds5

About N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine

N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine (PubChem CID 62858053) has the molecular formula C12H12BrClN4O2 and a molecular weight of 359.61 g/mol. Its IUPAC name is N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
PubChem CID62858053
Molecular FormulaC12H12BrClN4O2
Molecular Weight359.61 g/mol
Exact Mass357.98
IUPAC NameN-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
SMILESCCOc1nc(Cl)nc(Nc2cc(Br)ccc2OC)n1
InChIInChI=1S/C12H12BrClN4O2/c1-3-20-12-17-10(14)16-11(18-12)15-8-6-7(13)4-5-9(8)19-2/h4-6H,3H2,1-2H3,(H,15,16,17,18)
InChIKeyCWGGZAOGAAZJIC-UHFFFAOYSA-N
XLogP3.44
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.61
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-bromo-5-chlorophenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 81275542
N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859182
N-(5-bromo-2-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63548891
N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859689
2-N-(5-bromo-2-chlorophenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80825083
N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63549239
N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905494
N-(4-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 55124358
4-chloro-N-(3,4-dimethylphenyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 55124692
4-chloro-6-ethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
CID 62858365
5-bromo-N-(5-bromo-2-methoxyphenyl)-2-chloropyrimidin-4-amine
CID 79073075
2-(4-bromo-2-propan-2-ylphenoxy)-4-chloro-6-ethoxy-1,3,5-triazine
CID 115401784

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine (CID 62858053) is N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine is CCOc1nc(Cl)nc(Nc2cc(Br)ccc2OC)n1.
What is the InChIKey of N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
The InChIKey is CWGGZAOGAAZJIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4O2/c1-3-20-12-17-10(14)16-11(18-12)15-8-6-7(13)4-5-9(8)19-2/h4-6H,3H2,1-2H3,(H,15,16,17,18).
What are the key properties of N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine?
N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine has a molecular weight of 359.61 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62858053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).