2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol

C19H20FN5O4 — CID 23535774

IUPAC2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCOc1cc(Nc2ncnc(Nc3ccc(C)c(O)c3F)n2)cc(OC)c1OC
InChIInChI=1S/C19H20FN5O4/c1-10-5-6-12(15(20)16(10)26)24-19-22-9-21-18(25-19)23-11-7-13(27-2)17(29-4)14(8-11)28-3/h5-9,26H,1-4H3,(H2,21,22,23,24,25)
InChIKeyJYXNTTXTIONHGX-UHFFFAOYSA-N
MW401.40 g/mol
LogP3.54
Rot. Bonds7

About 2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol

2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 23535774) has the molecular formula C19H20FN5O4 and a molecular weight of 401.40 g/mol. Its IUPAC name is 2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
PubChem CID23535774
Molecular FormulaC19H20FN5O4
Molecular Weight401.40 g/mol
Exact Mass401.15
IUPAC Name2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol
SMILESCOc1cc(Nc2ncnc(Nc3ccc(C)c(O)c3F)n2)cc(OC)c1OC
InChIInChI=1S/C19H20FN5O4/c1-10-5-6-12(15(20)16(10)26)24-19-22-9-21-18(25-19)23-11-7-13(27-2)17(29-4)14(8-11)28-3/h5-9,26H,1-4H3,(H2,21,22,23,24,25)
InChIKeyJYXNTTXTIONHGX-UHFFFAOYSA-N
XLogP3.54
TPSA110.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.40
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol (CID 23535774) is 2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol is COc1cc(Nc2ncnc(Nc3ccc(C)c(O)c3F)n2)cc(OC)c1OC.
What is the InChIKey of 2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is JYXNTTXTIONHGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O4/c1-10-5-6-12(15(20)16(10)26)24-19-22-9-21-18(25-19)23-11-7-13(27-2)17(29-4)14(8-11)28-3/h5-9,26H,1-4H3,(H2,21,22,23,24,25).
What are the key properties of 2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol?
2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol has a molecular weight of 401.40 g/mol, XLogP of 3.54, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-methyl-3-[[4-(3,4,5-trimethoxyanilino)-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 23535774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).