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

C10H7BrCl2N4 — CID 55124610

IUPACN-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESCc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Br
InChIInChI=1S/C10H7BrCl2N4/c1-5-4-6(2-3-7(5)11)14-10-16-8(12)15-9(13)17-10/h2-4H,1H3,(H,14,15,16,17)
InChIKeyUSIUBWSVGTVBDG-UHFFFAOYSA-N
MW334.00 g/mol
LogP3.99
Rot. Bonds2

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

N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 55124610) has the molecular formula C10H7BrCl2N4 and a molecular weight of 334.00 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID55124610
Molecular FormulaC10H7BrCl2N4
Molecular Weight334.00 g/mol
Exact Mass331.92
IUPAC NameN-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
SMILESCc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Br
InChIInChI=1S/C10H7BrCl2N4/c1-5-4-6(2-3-7(5)11)14-10-16-8(12)15-9(13)17-10/h2-4H,1H3,(H,14,15,16,17)
InChIKeyUSIUBWSVGTVBDG-UHFFFAOYSA-N
XLogP3.99
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.00
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 62869497
4,6-dichloro-N-(3-methylphenyl)-1,3,5-triazin-2-amine
CID 768151
N-(4-bromo-3-methylphenyl)-2-chloro-5-methylpyrimidin-4-amine
CID 79075424
N-(3-bromo-4-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63547878
N-(4-bromo-3-methylphenyl)-2-chloro-6-(trifluoromethyl)pyrimidin-4-amine
CID 112694870
4-N-(4-bromo-3-methylphenyl)-2-N-(4-chlorophenyl)pyrimidine-2,4-diamine
CID 112903833
4-[(4-chloro-6-methyl-1,3,5-triazin-2-yl)amino]-2-methylbenzenesulfonic acid
CID 21343192
2-N-(4-bromo-3-methylphenyl)-4-N,4-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924168
2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 107617918
2-N-(4-bromo-3-methylphenyl)-6-methyl-4-N-(3-methylphenyl)pyrimidine-2,4-diamine
CID 112927219
N-(4-bromo-3-methylphenyl)-6-chloro-2-methylsulfanylpyrimidin-4-amine
CID 80544730
N-(4-bromo-3-methylphenyl)-6-chloropyrimidin-4-amine
CID 61277543

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine (CID 55124610) is N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine is Cc1cc(Nc2nc(Cl)nc(Cl)n2)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is USIUBWSVGTVBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N4/c1-5-4-6(2-3-7(5)11)14-10-16-8(12)15-9(13)17-10/h2-4H,1H3,(H,14,15,16,17).
What are the key properties of N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine?
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 334.00 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 55124610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).