4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine

C12H13BrClN5 — CID 107576918

IUPAC4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Br)cc(Nc2nc(Cl)nc(N(C)C)n2)c1
InChIInChI=1S/C12H13BrClN5/c1-7-4-8(13)6-9(5-7)15-11-16-10(14)17-12(18-11)19(2)3/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyQUIOAHFKEUGWQA-UHFFFAOYSA-N
MW342.63 g/mol
LogP3.41
Rot. Bonds3

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

4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 107576918) has the molecular formula C12H13BrClN5 and a molecular weight of 342.63 g/mol. Its IUPAC name is 4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID107576918
Molecular FormulaC12H13BrClN5
Molecular Weight342.63 g/mol
Exact Mass341.00
IUPAC Name4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Br)cc(Nc2nc(Cl)nc(N(C)C)n2)c1
InChIInChI=1S/C12H13BrClN5/c1-7-4-8(13)6-9(5-7)15-11-16-10(14)17-12(18-11)19(2)3/h4-6H,1-3H3,(H,15,16,17,18)
InChIKeyQUIOAHFKEUGWQA-UHFFFAOYSA-N
XLogP3.41
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.63
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62869327
4,6-dichloro-N-(3-fluoro-5-methylphenyl)-1,3,5-triazin-2-amine
CID 79050159
6-chloro-2-N,2-N-dimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4-diamine
CID 63549392
6-chloro-4-N-(4-ethylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62868831
4-N-(5-bromo-2,4-difluorophenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 102854503
5-bromo-2-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 82703983
4-N-(3-fluoro-5-methylphenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80851450
4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzene-1,2-dicarbonitrile
CID 107792353
6-chloro-4-N-(2,6-dichloro-4-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83077703
6-chloro-4-N-(2,5-dichlorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55124757
[4-chloro-6-(4-methylanilino)-1,3,5-triazin-2-yl]-methylcyanamide
CID 826222
4-chloro-N-(3,5-dimethylphenyl)-6-(4-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 174869921

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 107576918) is 4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is Cc1cc(Br)cc(Nc2nc(Cl)nc(N(C)C)n2)c1.
What is the InChIKey of 4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QUIOAHFKEUGWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN5/c1-7-4-8(13)6-9(5-7)15-11-16-10(14)17-12(18-11)19(2)3/h4-6H,1-3H3,(H,15,16,17,18).
What are the key properties of 4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 342.63 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 107576918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).