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

C14H19BrN6 — CID 80828707

IUPAC4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2c(C)cc(Br)cc2C)nc(N(C)C)n1
InChIInChI=1S/C14H19BrN6/c1-8-6-10(15)7-9(2)11(8)17-13-18-12(16-3)19-14(20-13)21(4)5/h6-7H,1-5H3,(H2,16,17,18,19,20)
InChIKeyMISOANYMXQIHNU-UHFFFAOYSA-N
MW351.25 g/mol
LogP3.10
Rot. Bonds4

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

4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80828707) has the molecular formula C14H19BrN6 and a molecular weight of 351.25 g/mol. Its IUPAC name is 4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80828707
Molecular FormulaC14H19BrN6
Molecular Weight351.25 g/mol
Exact Mass350.09
IUPAC Name4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(Nc2c(C)cc(Br)cc2C)nc(N(C)C)n1
InChIInChI=1S/C14H19BrN6/c1-8-6-10(15)7-9(2)11(8)17-13-18-12(16-3)19-14(20-13)21(4)5/h6-7H,1-5H3,(H2,16,17,18,19,20)
InChIKeyMISOANYMXQIHNU-UHFFFAOYSA-N
XLogP3.10
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.25
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

4-N-(4-methoxy-2-methylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80804494
2-N,2-N,6-N-trimethyl-4-N-(2,4,5-trichlorophenyl)-1,3,5-triazine-2,4,6-triamine
CID 80748181
4-N-(4-bromo-2,3-dichlorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107794861
4-N-(2-chloro-4-fluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80756294
4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759355
6-(5-bromo-2-fluorophenyl)-2-N,2-N,4-N-trimethyl-1,3,5-triazine-2,4-diamine
CID 79743592
4-N-(3-bromo-5-methylphenyl)-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 107576918
4-[[4-[4-[(Z)-2-cyanoethenyl]-2,6-dimethylanilino]-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]benzonitrile
CID 71735961
4-N-(2-chloro-4-iodophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 107604708
4-N-(3-bromo-4-methylphenyl)-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80815708
2-N,2-N,6-N-trimethyl-4-N-(4-phenyldiazenylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 90346186
2-N-(2,5-dibromophenyl)-6-hydrazinyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80897605

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80828707) is 4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(Nc2c(C)cc(Br)cc2C)nc(N(C)C)n1.
What is the InChIKey of 4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is MISOANYMXQIHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN6/c1-8-6-10(15)7-9(2)11(8)17-13-18-12(16-3)19-14(20-13)21(4)5/h6-7H,1-5H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 351.25 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-bromo-2,6-dimethylphenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80828707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).