N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine

C12H11BrCl2N4O — CID 63549239

IUPACN-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H11BrCl2N4O/c1-2-5-20-12-18-10(15)17-11(19-12)16-9-4-3-7(13)6-8(9)14/h3-4,6H,2,5H2,1H3,(H,16,17,18,19)
InChIKeyZGUNKZOGYVILBY-UHFFFAOYSA-N
MW378.06 g/mol
LogP4.47
Rot. Bonds5

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

N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 63549239) has the molecular formula C12H11BrCl2N4O and a molecular weight of 378.06 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
PubChem CID63549239
Molecular FormulaC12H11BrCl2N4O
Molecular Weight378.06 g/mol
Exact Mass375.95
IUPAC NameN-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(Cl)nc(Nc2ccc(Br)cc2Cl)n1
InChIInChI=1S/C12H11BrCl2N4O/c1-2-5-20-12-18-10(15)17-11(19-12)16-9-4-3-7(13)6-8(9)14/h3-4,6H,2,5H2,1H3,(H,16,17,18,19)
InChIKeyZGUNKZOGYVILBY-UHFFFAOYSA-N
XLogP4.47
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.06
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-bromo-2-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 63548891
N-(2-bromo-3-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 103481042
N-(4-bromo-2,5-difluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 107614894
4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62871544
N-(5-bromo-2-methoxyphenyl)-4-chloro-6-ethoxy-1,3,5-triazin-2-amine
CID 62858053
2-N-(2,5-dibromophenyl)-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780955
N-(4-bromo-2-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80913147
N-(3-bromo-4-fluorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine
CID 104780303
4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 55221743
4-chloro-N-(3,5-difluorophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62869859
4-chloro-N-(4-ethoxyphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62868487
N-(4-bromo-2-fluorophenyl)-4-chloro-6-methoxy-1,3,5-triazin-2-amine
CID 55124358

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine (CID 63549239) is N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(Cl)nc(Nc2ccc(Br)cc2Cl)n1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is ZGUNKZOGYVILBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2N4O/c1-2-5-20-12-18-10(15)17-11(19-12)16-9-4-3-7(13)6-8(9)14/h3-4,6H,2,5H2,1H3,(H,16,17,18,19).
What are the key properties of N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine?
N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 378.06 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-4-chloro-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 63549239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).