4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

C14H19FN6 — CID 80784400

IUPAC4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NC(C)c2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H19FN6/c1-9(10-5-7-11(15)8-6-10)17-13-18-12(16-2)19-14(20-13)21(3)4/h5-9H,1-4H3,(H2,16,17,18,19,20)
InChIKeyVQVBPLPMXGGFHS-UHFFFAOYSA-N
MW290.35 g/mol
LogP2.29
Rot. Bonds5

About 4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine

4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 80784400) has the molecular formula C14H19FN6 and a molecular weight of 290.35 g/mol. Its IUPAC name is 4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
PubChem CID80784400
Molecular FormulaC14H19FN6
Molecular Weight290.35 g/mol
Exact Mass290.17
IUPAC Name4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
SMILESCNc1nc(NC(C)c2ccc(F)cc2)nc(N(C)C)n1
InChIInChI=1S/C14H19FN6/c1-9(10-5-7-11(15)8-6-10)17-13-18-12(16-2)19-14(20-13)21(3)4/h5-9H,1-4H3,(H2,16,17,18,19,20)
InChIKeyVQVBPLPMXGGFHS-UHFFFAOYSA-N
XLogP2.29
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-4,6-dimethylpyrimidin-2-amine
CID 60726849
4-N-[1-(2-chlorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80783650
4-N-[1-(4-chlorophenyl)ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80802339
4-N-(2,5-difluorophenyl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80759355
N-[1-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62960002
6-chloro-2-N,2-N-dimethyl-4-N-[1-(1H-pyrazol-4-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106214411
2-N-ethyl-4-N-[1-(4-fluorophenyl)ethyl]-2-N-[2-(methylamino)ethyl]-6-N-(1H-pyrazol-5-yl)-1,3,5-triazine-2,4,6-triamine
CID 70913258
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propan-2-yl-1,3,5-triazin-2-amine;yttrium
CID 59879787
4-N-(1-cyclopropylpropan-2-yl)-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80839427
2-[1-(4-fluorophenyl)ethyl]-1,1-dimethylhydrazine
CID 83003219
4-N-methyl-6-propan-2-yloxy-2-N-(1-pyridin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80771725
4-chloro-6-ethoxy-N-[1-(4-fluorophenyl)ethyl]-1,3,5-triazin-2-amine
CID 62858377

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine (CID 80784400) is 4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is CNc1nc(NC(C)c2ccc(F)cc2)nc(N(C)C)n1.
What is the InChIKey of 4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is VQVBPLPMXGGFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN6/c1-9(10-5-7-11(15)8-6-10)17-13-18-12(16-2)19-14(20-13)21(3)4/h5-9H,1-4H3,(H2,16,17,18,19,20).
What are the key properties of 4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine?
4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 290.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(4-fluorophenyl)ethyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 80784400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).