3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one

C16H18FN3O2 — CID 72948204

IUPAC3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(N3CCOCC3)c(F)c2)c(C)n1
InChIInChI=1S/C16H18FN3O2/c1-11-9-16(21)20(12(2)18-11)13-3-4-15(14(17)10-13)19-5-7-22-8-6-19/h3-4,9-10H,5-8H2,1-2H3
InChIKeySFCWRBVCCALGMZ-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.83
Rot. Bonds2

About 3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one

3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one (PubChem CID 72948204) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one
PubChem CID72948204
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(N3CCOCC3)c(F)c2)c(C)n1
InChIInChI=1S/C16H18FN3O2/c1-11-9-16(21)20(12(2)18-11)13-3-4-15(14(17)10-13)19-5-7-22-8-6-19/h3-4,9-10H,5-8H2,1-2H3
InChIKeySFCWRBVCCALGMZ-UHFFFAOYSA-N
XLogP1.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one (CID 72948204) is 3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(-c2ccc(N3CCOCC3)c(F)c2)c(C)n1.
What is the InChIKey of 3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one?
The InChIKey is SFCWRBVCCALGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-11-9-16(21)20(12(2)18-11)13-3-4-15(14(17)10-13)19-5-7-22-8-6-19/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one?
3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one has a molecular weight of 303.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-morpholin-4-ylphenyl)-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 72948204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).