4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine

C11H10BrClN4 — CID 115568668

IUPAC4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C11H10BrClN4/c1-2-9-15-10(17-11(14)16-9)6-3-4-8(13)7(12)5-6/h3-5H,2H2,1H3,(H2,14,15,16,17)
InChIKeyYZOMEONBTCTWQW-UHFFFAOYSA-N
MW313.59 g/mol
LogP3.10
Rot. Bonds2

About 4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine

4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine (PubChem CID 115568668) has the molecular formula C11H10BrClN4 and a molecular weight of 313.59 g/mol. Its IUPAC name is 4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine
PubChem CID115568668
Molecular FormulaC11H10BrClN4
Molecular Weight313.59 g/mol
Exact Mass311.98
IUPAC Name4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(-c2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C11H10BrClN4/c1-2-9-15-10(17-11(14)16-9)6-3-4-8(13)7(12)5-6/h3-5H,2H2,1H3,(H2,14,15,16,17)
InChIKeyYZOMEONBTCTWQW-UHFFFAOYSA-N
XLogP3.10
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.59
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromo-4-chlorophenyl)-4,6-dichloropyrimidine
CID 115565759
4-(3-bromo-4-methoxyphenyl)-6-propyl-1,3,5-triazin-2-amine
CID 106951384
4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine
CID 63868723
[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]methanamine
CID 113337351
5-bromo-2-(3-bromo-4-chlorophenyl)pyrimidin-4-amine
CID 115568327
3-[3-(3-bromo-4-chlorophenyl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 115565665
1-[2-(3-bromo-4-chlorophenyl)-6-methylpyrimidin-4-yl]butan-2-amine
CID 115568456
2-(3-bromo-4-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 115568211
5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine
CID 66300010
5-(3-bromo-4-chlorophenyl)-1,2,4-thiadiazol-3-amine
CID 107994568
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(methoxymethyl)pyrimidine
CID 113336859
2-(3-bromo-4-chlorophenyl)-4-chloro-5-iodo-6-(2-methylpropyl)pyrimidine
CID 115565778

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine (CID 115568668) is 4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine is CCc1nc(N)nc(-c2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine?
The InChIKey is YZOMEONBTCTWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN4/c1-2-9-15-10(17-11(14)16-9)6-3-4-8(13)7(12)5-6/h3-5H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of 4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine?
4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine has a molecular weight of 313.59 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-4-chlorophenyl)-6-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 115568668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).