3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one

C18H22FN3O2 — CID 123583774

IUPAC3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(N3C(C)COCC3C)c(F)c2)c(C)n1
InChIInChI=1S/C18H22FN3O2/c1-11-7-18(23)22(14(4)20-11)15-5-6-17(16(19)8-15)21-12(2)9-24-10-13(21)3/h5-8,12-13H,9-10H2,1-4H3
InChIKeyAPBHHEHMGFPXLB-UHFFFAOYSA-N
MW331.39 g/mol
LogP2.60
Rot. Bonds2

About 3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one

3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one (PubChem CID 123583774) has the molecular formula C18H22FN3O2 and a molecular weight of 331.39 g/mol. Its IUPAC name is 3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one
PubChem CID123583774
Molecular FormulaC18H22FN3O2
Molecular Weight331.39 g/mol
Exact Mass331.17
IUPAC Name3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one
SMILESCc1cc(=O)n(-c2ccc(N3C(C)COCC3C)c(F)c2)c(C)n1
InChIInChI=1S/C18H22FN3O2/c1-11-7-18(23)22(14(4)20-11)15-5-6-17(16(19)8-15)21-12(2)9-24-10-13(21)3/h5-8,12-13H,9-10H2,1-4H3
InChIKeyAPBHHEHMGFPXLB-UHFFFAOYSA-N
XLogP2.60
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(Morpholin-4-Yl)-6-Oxo-1,6-Dihydropyrimidin-2-Yl]-N-Phenylacetamide
CID 135566741
5-Acetyl-6-methyl-4-morpholin-4-yl-1-phenylpyrimidin-2-one
CID 839888
N-(3,4-difluorophenyl)-2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 49854022
2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-phenylacetamide
CID 49854121
N-(4-fluorophenyl)-2-[1-methyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 66883557
N-(4-fluorophenyl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 136041847
N-(2-fluorophenyl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 136230225
N-(3-fluorophenyl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 136230226
N-(3,4-difluorophenyl)-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]acetamide
CID 136230231
7-methyl-9-[1-(N-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 122179689
2-[1-ethyl-4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]-N-(4-fluorophenyl)acetamide
CID 66882957
N-(4-fluorophenyl)-3-methyl-2-[4-(morpholin-4-yl)-6-oxo-1,6-dihydropyrimidin-2-yl]butanamide
CID 136041770

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one (CID 123583774) is 3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one is Cc1cc(=O)n(-c2ccc(N3C(C)COCC3C)c(F)c2)c(C)n1.
What is the InChIKey of 3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one?
The InChIKey is APBHHEHMGFPXLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O2/c1-11-7-18(23)22(14(4)20-11)15-5-6-17(16(19)8-15)21-12(2)9-24-10-13(21)3/h5-8,12-13H,9-10H2,1-4H3.
What are the key properties of 3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one?
3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one has a molecular weight of 331.39 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,5-dimethylmorpholin-4-yl)-3-fluorophenyl]-2,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 123583774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).