4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine

C13H16BrClN6 — CID 80838202

IUPAC4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(Nc2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C13H16BrClN6/c1-3-21(4-2)13-19-11(16)18-12(20-13)17-8-5-6-10(15)9(14)7-8/h5-7H,3-4H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyUPBJUERUFPXJFZ-UHFFFAOYSA-N
MW371.67 g/mol
LogP3.46
Rot. Bonds5

About 4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine

4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80838202) has the molecular formula C13H16BrClN6 and a molecular weight of 371.67 g/mol. Its IUPAC name is 4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80838202
Molecular FormulaC13H16BrClN6
Molecular Weight371.67 g/mol
Exact Mass370.03
IUPAC Name4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(Nc2ccc(Cl)c(Br)c2)n1
InChIInChI=1S/C13H16BrClN6/c1-3-21(4-2)13-19-11(16)18-12(20-13)17-8-5-6-10(15)9(14)7-8/h5-7H,3-4H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyUPBJUERUFPXJFZ-UHFFFAOYSA-N
XLogP3.46
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.67
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80760537
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464
4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80748472
4-N-(4-chloro-2-iodophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 107639126
4-N-(2,4-difluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80738160
2-N,2-N-diethyl-4-N-(5-fluoro-2-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80751307
4-N-(3,4-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80763289
6-chloro-2-N,2-N-diethyl-4-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 62868330
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
2-N-(4-chloro-3-methoxyphenyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 107623632
4-N-(3-bromo-4-methylphenyl)-2-N,2-N-diethyl-6-methylpyrimidine-2,4-diamine
CID 112924252
4-N-(3-bromo-4-chlorophenyl)-2-ethyl-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80992119

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (CID 80838202) is 4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(Nc2ccc(Cl)c(Br)c2)n1.
What is the InChIKey of 4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UPBJUERUFPXJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN6/c1-3-21(4-2)13-19-11(16)18-12(20-13)17-8-5-6-10(15)9(14)7-8/h5-7H,3-4H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 371.67 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80838202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).