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

C11H11BrN4 — CID 63868723

IUPAC4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(-c2ccccc2Br)n1
InChIInChI=1S/C11H11BrN4/c1-2-9-14-10(16-11(13)15-9)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyITOXBYAWNWZAII-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.45
Rot. Bonds2

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

4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine (PubChem CID 63868723) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine
PubChem CID63868723
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine
SMILESCCc1nc(N)nc(-c2ccccc2Br)n1
InChIInChI=1S/C11H11BrN4/c1-2-9-14-10(16-11(13)15-9)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H2,13,14,15,16)
InChIKeyITOXBYAWNWZAII-UHFFFAOYSA-N
XLogP2.45
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Benzoguanamine
CID 7064
6-(3-Methylphenyl)-1,3,5-triazine-2,4-diamine
CID 273487
2,4-Diamino-6-(4-fluorophenyl)-1,3,5-triazine
CID 11390103
6-(3-Fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 12852432
2,4-Diamino-6-(4-methylphenyl)-1,3,5-triazine
CID 29542
2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
CID 1728672
2,4,6-Tris(4-bromophenyl)-1,3,5-triazine
CID 35224
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
CID 58943302
2,4-Diamino-6-(4-bromophenyl)-1,3,5-triazine
CID 746710
2-(4-Bromobenzylamino)-4-methyl-6-(trifluoromethyl)-1,3,5-triazine
CID 15857809
4-(4-Bromophenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645145
6-(3-Bromophenyl)-1,3,5-triazine-2,4-diamine
CID 273483

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine (CID 63868723) is 4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine is CCc1nc(N)nc(-c2ccccc2Br)n1.
What is the InChIKey of 4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine?
The InChIKey is ITOXBYAWNWZAII-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-2-9-14-10(16-11(13)15-9)7-5-3-4-6-8(7)12/h3-6H,2H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine?
4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine has a molecular weight of 279.14 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)-6-ethyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).