[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate

C20H20FN5O2 — CID 7836606

IUPAC[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate
SMILESCCc1ccccc1Nc1nc(N)nc(COC(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C20H20FN5O2/c1-2-14-7-3-4-9-16(14)23-20-25-17(24-19(22)26-20)12-28-18(27)11-13-6-5-8-15(21)10-13/h3-10H,2,11-12H2,1H3,(H3,22,23,24,25,26)
InChIKeyFMUZTVCNVNDZDB-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.18
Rot. Bonds7

About [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate

[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate (PubChem CID 7836606) has the molecular formula C20H20FN5O2 and a molecular weight of 381.41 g/mol. Its IUPAC name is [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate.

Molecular Properties

Compound Name[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate
PubChem CID7836606
Molecular FormulaC20H20FN5O2
Molecular Weight381.41 g/mol
Exact Mass381.16
IUPAC Name[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate
SMILESCCc1ccccc1Nc1nc(N)nc(COC(=O)Cc2cccc(F)c2)n1
InChIInChI=1S/C20H20FN5O2/c1-2-14-7-3-4-9-16(14)23-20-25-17(24-19(22)26-20)12-28-18(27)11-13-6-5-8-15(21)10-13/h3-10H,2,11-12H2,1H3,(H3,22,23,24,25,26)
InChIKeyFMUZTVCNVNDZDB-UHFFFAOYSA-N
XLogP3.18
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate?
The IUPAC name of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate (CID 7836606) is [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate.
What is the SMILES notation for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate?
The canonical SMILES for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate is CCc1ccccc1Nc1nc(N)nc(COC(=O)Cc2cccc(F)c2)n1.
What is the InChIKey of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate?
The InChIKey is FMUZTVCNVNDZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O2/c1-2-14-7-3-4-9-16(14)23-20-25-17(24-19(22)26-20)12-28-18(27)11-13-6-5-8-15(21)10-13/h3-10H,2,11-12H2,1H3,(H3,22,23,24,25,26).
What are the key properties of [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate?
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate has a molecular weight of 381.41 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-fluorophenyl)acetate is sourced from PubChem (CID 7836606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).