N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine

C11H10BrClN4O — CID 62859182

IUPACN-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2cc(Br)ccc2C)n1
InChIInChI=1S/C11H10BrClN4O/c1-6-3-4-7(12)5-8(6)14-10-15-9(13)16-11(17-10)18-2/h3-5H,1-2H3,(H,14,15,16,17)
InChIKeyZGRYDIAINZTBJV-UHFFFAOYSA-N
MW329.59 g/mol
LogP3.35
Rot. Bonds3

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

N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine (PubChem CID 62859182) has the molecular formula C11H10BrClN4O and a molecular weight of 329.59 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
PubChem CID62859182
Molecular FormulaC11H10BrClN4O
Molecular Weight329.59 g/mol
Exact Mass327.97
IUPAC NameN-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
SMILESCOc1nc(Cl)nc(Nc2cc(Br)ccc2C)n1
InChIInChI=1S/C11H10BrClN4O/c1-6-3-4-7(12)5-8(6)14-10-15-9(13)16-11(17-10)18-2/h3-5H,1-2H3,(H,14,15,16,17)
InChIKeyZGRYDIAINZTBJV-UHFFFAOYSA-N
XLogP3.35
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.59
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62859689
N-(4-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 55124358
5-bromo-2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]benzonitrile
CID 82703911
4-chloro-N-(4-chloro-2-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114256288
N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548188
N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 62858053
N-(2-bromo-4-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 62858822
5-bromo-N-(5-bromo-2-methylphenyl)-4-methoxypyrimidin-2-amine
CID 106998767
4-chloro-N-(2,6-difluoro-3-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 82819504
N-(5-bromo-2-methoxyphenyl)-4-hydrazinyl-6-methoxy-1,3,5-triazin-2-amine
CID 80905494
N-(5-bromo-2-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63548891
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-6-methylbenzonitrile
CID 107800154

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine (CID 62859182) is N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine is COc1nc(Cl)nc(Nc2cc(Br)ccc2C)n1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
The InChIKey is ZGRYDIAINZTBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4O/c1-6-3-4-7(12)5-8(6)14-10-15-9(13)16-11(17-10)18-2/h3-5H,1-2H3,(H,14,15,16,17).
What are the key properties of N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine?
N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine has a molecular weight of 329.59 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62859182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).