N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine

C10H6BrCl2FN4 — CID 106194284

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
SMILESFc1ccc(Br)cc1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H6BrCl2FN4/c11-6-1-2-7(14)5(3-6)4-15-10-17-8(12)16-9(13)18-10/h1-3H,4H2,(H,15,16,17,18)
InChIKeyPKKRTXBKIAJOQB-UHFFFAOYSA-N
MW351.99 g/mol
LogP3.69
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine

N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine (PubChem CID 106194284) has the molecular formula C10H6BrCl2FN4 and a molecular weight of 351.99 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
PubChem CID106194284
Molecular FormulaC10H6BrCl2FN4
Molecular Weight351.99 g/mol
Exact Mass349.91
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine
SMILESFc1ccc(Br)cc1CNc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H6BrCl2FN4/c11-6-1-2-7(14)5(3-6)4-15-10-17-8(12)16-9(13)18-10/h1-3H,4H2,(H,15,16,17,18)
InChIKeyPKKRTXBKIAJOQB-UHFFFAOYSA-N
XLogP3.69
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.99
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-[(5-bromo-2-fluorophenyl)methyl]pyrimidine-2,4-diamine
CID 116795672
4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65467746
2,4-dibromo-N-[(5-bromo-2-fluorophenyl)methyl]aniline
CID 43683047
N-[(5-bromo-2-fluorophenyl)methyl]quinazolin-2-amine
CID 114788959
N-[(5-bromo-2-fluorophenyl)methyl]aniline;hydrochloride
CID 47023745
N-[(5-bromo-2-fluorophenyl)methyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115974686
5-bromo-N-[(5-bromo-2-fluorophenyl)methyl]pyridin-3-amine
CID 103702616
N-[(5-bromo-2-fluorophenyl)methyl]-4-chlorophthalazin-1-amine
CID 106194292
N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
CID 106194274
N-[(5-bromo-2-fluorophenyl)methyl]-N',N'-dimethylmethanediamine
CID 101043657
N-[(5-bromo-2-fluorophenyl)methyl]-4-chloro-3-(trifluoromethyl)aniline
CID 43245814
1-(5-bromo-2-fluorophenyl)-N-[(2,6-dichlorophenyl)methyl]methanamine
CID 55193888

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine (CID 106194284) is N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine is Fc1ccc(Br)cc1CNc1nc(Cl)nc(Cl)n1.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine?
The InChIKey is PKKRTXBKIAJOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrCl2FN4/c11-6-1-2-7(14)5(3-6)4-15-10-17-8(12)16-9(13)18-10/h1-3H,4H2,(H,15,16,17,18).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine?
N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine has a molecular weight of 351.99 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-4,6-dichloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 106194284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).