4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine

C13H15FN4O2 — CID 1158964

IUPAC4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccccc2F)nc(OCC)n1
InChIInChI=1S/C13H15FN4O2/c1-3-19-12-16-11(17-13(18-12)20-4-2)15-10-8-6-5-7-9(10)14/h5-8H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyBNPRRANHPBLLMS-UHFFFAOYSA-N
MW278.29 g/mol
LogP2.55
Rot. Bonds6

About 4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine

4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine (PubChem CID 1158964) has the molecular formula C13H15FN4O2 and a molecular weight of 278.29 g/mol. Its IUPAC name is 4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
PubChem CID1158964
Molecular FormulaC13H15FN4O2
Molecular Weight278.29 g/mol
Exact Mass278.12
IUPAC Name4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine
SMILESCCOc1nc(Nc2ccccc2F)nc(OCC)n1
InChIInChI=1S/C13H15FN4O2/c1-3-19-12-16-11(17-13(18-12)20-4-2)15-10-8-6-5-7-9(10)14/h5-8H,3-4H2,1-2H3,(H,15,16,17,18)
InChIKeyBNPRRANHPBLLMS-UHFFFAOYSA-N
XLogP2.55
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine (CID 1158964) is 4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine is CCOc1nc(Nc2ccccc2F)nc(OCC)n1.
What is the InChIKey of 4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine?
The InChIKey is BNPRRANHPBLLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O2/c1-3-19-12-16-11(17-13(18-12)20-4-2)15-10-8-6-5-7-9(10)14/h5-8H,3-4H2,1-2H3,(H,15,16,17,18).
What are the key properties of 4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine?
4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine has a molecular weight of 278.29 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethoxy-N-(2-fluorophenyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 1158964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).