2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine

C12H12BrCl2N5 — CID 107617918

IUPAC2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C12H12BrCl2N5/c1-2-5-16-11-18-10(15)19-12(20-11)17-7-3-4-8(13)9(14)6-7/h3-4,6H,2,5H2,1H3,(H2,16,17,18,19,20)
InChIKeyWXSXDGUFFWGFEA-UHFFFAOYSA-N
MW377.07 g/mol
LogP4.51
Rot. Bonds5

About 2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 107617918) has the molecular formula C12H12BrCl2N5 and a molecular weight of 377.07 g/mol. Its IUPAC name is 2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID107617918
Molecular FormulaC12H12BrCl2N5
Molecular Weight377.07 g/mol
Exact Mass374.97
IUPAC Name2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(Nc2ccc(Br)c(Cl)c2)n1
InChIInChI=1S/C12H12BrCl2N5/c1-2-5-16-11-18-10(15)19-12(20-11)17-7-3-4-8(13)9(14)6-7/h3-4,6H,2,5H2,1H3,(H2,16,17,18,19,20)
InChIKeyWXSXDGUFFWGFEA-UHFFFAOYSA-N
XLogP4.51
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.07
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-(3-bromo-4-methoxyphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80829938
2-N-(2-bromo-5-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 81272305
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
2-N-(4-bromo-2-ethylphenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 81286955
2-N-(4-bromo-3-chlorophenyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 107617887
N-(4-bromo-3-chlorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 107617973
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
5-bromo-4-N-(3-chloro-4-fluorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80755640
6-chloro-2-N-(5-fluoro-2-methylphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80762139
6-chloro-4-N-hexyl-2-N-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
CID 5124094
6-chloro-2-N-(2,6-dibromophenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 107604501
2-N-[(5-bromothiophen-2-yl)methyl]-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80836555

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 107617918) is 2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(Nc2ccc(Br)c(Cl)c2)n1.
What is the InChIKey of 2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WXSXDGUFFWGFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrCl2N5/c1-2-5-16-11-18-10(15)19-12(20-11)17-7-3-4-8(13)9(14)6-7/h3-4,6H,2,5H2,1H3,(H2,16,17,18,19,20).
What are the key properties of 2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 377.07 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-bromo-3-chlorophenyl)-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107617918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).