5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

C18H20FN3O3 — CID 56875287

IUPAC5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCOC(c3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O3/c1-11(2)16-20-9-14(17(23)21-16)18(24)22-7-8-25-15(10-22)12-3-5-13(19)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,20,21,23)
InChIKeyBKXZMZOTTHJPAX-UHFFFAOYSA-N
MW345.37 g/mol
LogP2.25
Rot. Bonds3

About 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one

5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 56875287) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID56875287
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1ncc(C(=O)N2CCOC(c3ccc(F)cc3)C2)c(=O)[nH]1
InChIInChI=1S/C18H20FN3O3/c1-11(2)16-20-9-14(17(23)21-16)18(24)22-7-8-25-15(10-22)12-3-5-13(19)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,20,21,23)
InChIKeyBKXZMZOTTHJPAX-UHFFFAOYSA-N
XLogP2.25
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-{1-[(Benzyloxy)acetyl]-3-piperidinyl}-2-methyl-4-pyrimidinol
CID 136247568
5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 42949374
N-[bis(4-fluorophenyl)methyl]-6-oxo-2-(phenylmethoxymethyl)-1H-pyrimidine-5-carboxamide
CID 90341485
3-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374128
3-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 38374130
5-[(2S)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 39997853
5-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 39997854
2-[[2-(4-Fluorophenyl)morpholin-4-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 42884482
2-[[2-(4-Fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 42884861
3-[2-(4-fluorophenyl)morpholine-4-carbonyl]-1H-pyridin-2-one
CID 42951734
2-[[(2S)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 51514176
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 51514177

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 56875287) is 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1ncc(C(=O)N2CCOC(c3ccc(F)cc3)C2)c(=O)[nH]1.
What is the InChIKey of 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is BKXZMZOTTHJPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O3/c1-11(2)16-20-9-14(17(23)21-16)18(24)22-7-8-25-15(10-22)12-3-5-13(19)6-4-12/h3-6,9,11,15H,7-8,10H2,1-2H3,(H,20,21,23).
What are the key properties of 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one?
5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 345.37 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 56875287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).