5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one

C21H17FN6O2 — CID 68691031

IUPAC5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one
SMILESCn1c(Nc2ccccc2F)ncc(-c2ccc(Oc3ccnc(N)c3)cn2)c1=O
InChIInChI=1S/C21H17FN6O2/c1-28-20(29)15(12-26-21(28)27-18-5-3-2-4-16(18)22)17-7-6-14(11-25-17)30-13-8-9-24-19(23)10-13/h2-12H,1H3,(H2,23,24)(H,26,27)
InChIKeyXLFYTOMPKITNFC-UHFFFAOYSA-N
MW404.41 g/mol
LogP3.49
Rot. Bonds5

About 5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one

5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one (PubChem CID 68691031) has the molecular formula C21H17FN6O2 and a molecular weight of 404.41 g/mol. Its IUPAC name is 5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one
PubChem CID68691031
Molecular FormulaC21H17FN6O2
Molecular Weight404.41 g/mol
Exact Mass404.14
IUPAC Name5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one
SMILESCn1c(Nc2ccccc2F)ncc(-c2ccc(Oc3ccnc(N)c3)cn2)c1=O
InChIInChI=1S/C21H17FN6O2/c1-28-20(29)15(12-26-21(28)27-18-5-3-2-4-16(18)22)17-7-6-14(11-25-17)30-13-8-9-24-19(23)10-13/h2-12H,1H3,(H2,23,24)(H,26,27)
InChIKeyXLFYTOMPKITNFC-UHFFFAOYSA-N
XLogP3.49
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one?
The IUPAC name of 5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one (CID 68691031) is 5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one.
What is the SMILES notation for 5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one?
The canonical SMILES for 5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one is Cn1c(Nc2ccccc2F)ncc(-c2ccc(Oc3ccnc(N)c3)cn2)c1=O.
What is the InChIKey of 5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one?
The InChIKey is XLFYTOMPKITNFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O2/c1-28-20(29)15(12-26-21(28)27-18-5-3-2-4-16(18)22)17-7-6-14(11-25-17)30-13-8-9-24-19(23)10-13/h2-12H,1H3,(H2,23,24)(H,26,27).
What are the key properties of 5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one?
5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one has a molecular weight of 404.41 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2-amino-4-pyridinyl)oxy]-2-pyridinyl]-2-(2-fluoroanilino)-3-methylpyrimidin-4-one is sourced from PubChem (CID 68691031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).