[4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone

C23H18FN5O2 — CID 38903613

IUPAC[4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone
SMILESNc1nc(COc2ccc(C(=O)c3ccccc3)cc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C23H18FN5O2/c24-17-8-10-18(11-9-17)26-23-28-20(27-22(25)29-23)14-31-19-12-6-16(7-13-19)21(30)15-4-2-1-3-5-15/h1-13H,14H2,(H3,25,26,27,28,29)
InChIKeyMLZMCPNXKRZPKL-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.15
Rot. Bonds7

About [4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone

[4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone (PubChem CID 38903613) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is [4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone
PubChem CID38903613
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name[4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone
SMILESNc1nc(COc2ccc(C(=O)c3ccccc3)cc2)nc(Nc2ccc(F)cc2)n1
InChIInChI=1S/C23H18FN5O2/c24-17-8-10-18(11-9-17)26-23-28-20(27-22(25)29-23)14-31-19-12-6-16(7-13-19)21(30)15-4-2-1-3-5-15/h1-13H,14H2,(H3,25,26,27,28,29)
InChIKeyMLZMCPNXKRZPKL-UHFFFAOYSA-N
XLogP4.15
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone (CID 38903613) is [4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone is Nc1nc(COc2ccc(C(=O)c3ccccc3)cc2)nc(Nc2ccc(F)cc2)n1.
What is the InChIKey of [4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone?
The InChIKey is MLZMCPNXKRZPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-17-8-10-18(11-9-17)26-23-28-20(27-22(25)29-23)14-31-19-12-6-16(7-13-19)21(30)15-4-2-1-3-5-15/h1-13H,14H2,(H3,25,26,27,28,29).
What are the key properties of [4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone?
[4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone has a molecular weight of 415.43 g/mol, XLogP of 4.15, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 38903613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).