4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C18H20FN3O3 — CID 136844717

IUPAC4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=C(Cc1cccc(F)c1)N1CCOC(CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C18H20FN3O3/c19-14-3-1-2-13(8-14)9-18(24)22-6-7-25-16(11-22)5-4-15-10-17(23)21-12-20-15/h1-3,8,10,12,16H,4-7,9,11H2,(H,20,21,23)
InChIKeyBPCKQVFEVDUIFS-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.31
Rot. Bonds5

About 4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136844717) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136844717
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=C(Cc1cccc(F)c1)N1CCOC(CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C18H20FN3O3/c19-14-3-1-2-13(8-14)9-18(24)22-6-7-25-16(11-22)5-4-15-10-17(23)21-12-20-15/h1-3,8,10,12,16H,4-7,9,11H2,(H,20,21,23)
InChIKeyBPCKQVFEVDUIFS-UHFFFAOYSA-N
XLogP1.31
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 136844717) is 4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is O=C(Cc1cccc(F)c1)N1CCOC(CCc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is BPCKQVFEVDUIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-14-3-1-2-13(8-14)9-18(24)22-6-7-25-16(11-22)5-4-15-10-17(23)21-12-20-15/h1-3,8,10,12,16H,4-7,9,11H2,(H,20,21,23).
What are the key properties of 4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 345.37 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[2-(3-fluorophenyl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136844717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).