6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine

C14H18FN5 — CID 15411053

IUPAC6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(C(C)F)n1)c1ccccc1
InChIInChI=1S/C14H18FN5/c1-3-11(10-7-5-4-6-8-10)17-14-19-12(9(2)15)18-13(16)20-14/h4-9,11H,3H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyUWIMLSXOGOQUEH-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.05
Rot. Bonds5

About 6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine

6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 15411053) has the molecular formula C14H18FN5 and a molecular weight of 275.33 g/mol. Its IUPAC name is 6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID15411053
Molecular FormulaC14H18FN5
Molecular Weight275.33 g/mol
Exact Mass275.15
IUPAC Name6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCC(Nc1nc(N)nc(C(C)F)n1)c1ccccc1
InChIInChI=1S/C14H18FN5/c1-3-11(10-7-5-4-6-8-10)17-14-19-12(9(2)15)18-13(16)20-14/h4-9,11H,3H2,1-2H3,(H3,16,17,18,19,20)
InChIKeyUWIMLSXOGOQUEH-UHFFFAOYSA-N
XLogP3.05
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine (CID 15411053) is 6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine is CCC(Nc1nc(N)nc(C(C)F)n1)c1ccccc1.
What is the InChIKey of 6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UWIMLSXOGOQUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN5/c1-3-11(10-7-5-4-6-8-10)17-14-19-12(9(2)15)18-13(16)20-14/h4-9,11H,3H2,1-2H3,(H3,16,17,18,19,20).
What are the key properties of 6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine?
6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 275.33 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoroethyl)-2-N-(1-phenylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15411053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).