2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

C10H11BrN6 — CID 118715061

IUPAC2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(Nc2nc(N)nc(N)n2)c(Br)c1
InChIInChI=1S/C10H11BrN6/c1-5-2-3-7(6(11)4-5)14-10-16-8(12)15-9(13)17-10/h2-4H,1H3,(H5,12,13,14,15,16,17)
InChIKeyAJVQCASJPXKQBL-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.85
Rot. Bonds2

About 2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine

2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 118715061) has the molecular formula C10H11BrN6 and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID118715061
Molecular FormulaC10H11BrN6
Molecular Weight295.14 g/mol
Exact Mass294.02
IUPAC Name2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine
SMILESCc1ccc(Nc2nc(N)nc(N)n2)c(Br)c1
InChIInChI=1S/C10H11BrN6/c1-5-2-3-7(6(11)4-5)14-10-16-8(12)15-9(13)17-10/h2-4H,1H3,(H5,12,13,14,15,16,17)
InChIKeyAJVQCASJPXKQBL-UHFFFAOYSA-N
XLogP1.85
TPSA102.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

Stk064997
CID 778562
4-[[4-Amino-[(2,6-dibromo-4-methylphenyl)amino]-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505532
4-[[4-(2,6-Dibromo-4-methyl-anilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 486450
4-[[4-Amino-6-(2-bromo-4,6-dimethyl-anilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71597775
4-[[4-Chloro-6-(2,6-dibromo-4-methyl-anilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505476
4-[[4-Amino-6-(4-bromo-2,6-dimethyl-anilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 505488
4-[[4-Amino-6-(2-bromo-4-methyl-anilino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 86574121
4-[[4-(2-Bromo-4-methyl-anilino)-6-chloro-1,3,5-triazin-2-yl]amino]benzonitrile
CID 89560028
4-((4-((4-Bromo-2,6-dimethylphenyl)amino)-6-chloro-1,3,5-triazin-2-yl)amino)benzonitrile
CID 89560123
N2-(2,6-dibromo-4-methyl-phenyl)-N4-phenyl-1,3,5-triazine-2,4,6-triamine
CID 118715071
N-p-Tolyl-[1,3,5]triazine-2,4-diamine
CID 704967
N-(2-Bromo-4-methylphenyl)-4,6-dimethyl-2-pyrimidinamine
CID 611317

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine (CID 118715061) is 2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is Cc1ccc(Nc2nc(N)nc(N)n2)c(Br)c1.
What is the InChIKey of 2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is AJVQCASJPXKQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN6/c1-5-2-3-7(6(11)4-5)14-10-16-8(12)15-9(13)17-10/h2-4H,1H3,(H5,12,13,14,15,16,17).
What are the key properties of 2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 295.14 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-bromo-4-methylphenyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 118715061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).