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

C18H20FN3O3 — CID 136844366

IUPAC2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1
InChIInChI=1S/C18H20FN3O3/c1-12-10-16(23)21-18(20-12)15-11-22(8-9-25-15)17(24)7-4-13-2-5-14(19)6-3-13/h2-3,5-6,10,15H,4,7-9,11H2,1H3,(H,20,21,23)
InChIKeyMMRCJLOCBBSEOO-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.75
Rot. Bonds4

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

2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136844366) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136844366
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1
InChIInChI=1S/C18H20FN3O3/c1-12-10-16(23)21-18(20-12)15-11-22(8-9-25-15)17(24)7-4-13-2-5-14(19)6-3-13/h2-3,5-6,10,15H,4,7-9,11H2,1H3,(H,20,21,23)
InChIKeyMMRCJLOCBBSEOO-UHFFFAOYSA-N
XLogP1.75
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 136844366) is 2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CN(C(=O)CCc3ccc(F)cc3)CCO2)n1.
What is the InChIKey of 2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MMRCJLOCBBSEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-12-10-16(23)21-18(20-12)15-11-22(8-9-25-15)17(24)7-4-13-2-5-14(19)6-3-13/h2-3,5-6,10,15H,4,7-9,11H2,1H3,(H,20,21,23).
What are the key properties of 2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 345.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136844366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).