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

C13H16BrFN6 — CID 80748472

IUPAC4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C13H16BrFN6/c1-3-21(4-2)13-19-11(16)18-12(20-13)17-10-6-5-8(15)7-9(10)14/h5-7H,3-4H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyUPEPSXVCLRBMAD-UHFFFAOYSA-N
MW355.22 g/mol
LogP2.95
Rot. Bonds5

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

4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80748472) has the molecular formula C13H16BrFN6 and a molecular weight of 355.22 g/mol. Its IUPAC name is 4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80748472
Molecular FormulaC13H16BrFN6
Molecular Weight355.22 g/mol
Exact Mass354.06
IUPAC Name4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
SMILESCCN(CC)c1nc(N)nc(Nc2ccc(F)cc2Br)n1
InChIInChI=1S/C13H16BrFN6/c1-3-21(4-2)13-19-11(16)18-12(20-13)17-10-6-5-8(15)7-9(10)14/h5-7H,3-4H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyUPEPSXVCLRBMAD-UHFFFAOYSA-N
XLogP2.95
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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-(4-chloro-2-iodophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 107639126
4-N-(3-bromo-4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80838202
4-N-(2,5-difluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759815
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464
4-N-(4-chlorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80760537
4-N-(2-chloro-5-fluorophenyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 107531890
4-N-(4-bromo-2-fluorophenyl)-6-chloro-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 63548192
4-N-(2-bromo-4-fluorophenyl)-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103323311
N-(2-bromo-4-fluorophenyl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80912510
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine (CID 80748472) is 4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is CCN(CC)c1nc(N)nc(Nc2ccc(F)cc2Br)n1.
What is the InChIKey of 4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UPEPSXVCLRBMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN6/c1-3-21(4-2)13-19-11(16)18-12(20-13)17-10-6-5-8(15)7-9(10)14/h5-7H,3-4H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine?
4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 355.22 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-bromo-4-fluorophenyl)-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80748472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).