1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone

C19H23N3O3 — CID 121017580

IUPAC1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(Oc2nc(C)cc(C)n2)C1
InChIInChI=1S/C19H23N3O3/c1-13-10-14(2)21-19(20-13)25-16-8-9-22(12-16)18(23)11-15-6-4-5-7-17(15)24-3/h4-7,10,16H,8-9,11-12H2,1-3H3
InChIKeyFEPLBJZUNONDLI-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.32
Rot. Bonds5

About 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone

1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 121017580) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID121017580
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCC(Oc2nc(C)cc(C)n2)C1
InChIInChI=1S/C19H23N3O3/c1-13-10-14(2)21-19(20-13)25-16-8-9-22(12-16)18(23)11-15-6-4-5-7-17(15)24-3/h4-7,10,16H,8-9,11-12H2,1-3H3
InChIKeyFEPLBJZUNONDLI-UHFFFAOYSA-N
XLogP2.32
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 129355491
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-2-(4-methoxy-3-methylphenyl)ethanone
CID 122258032
3-(benzenesulfonyl)-1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]propan-1-one
CID 129356082
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-phenylmethoxyethanone
CID 121017591
2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]ethanone
CID 129356021
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(4-propan-2-ylsulfanylphenyl)ethanone
CID 119100333
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 119100344
3-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidine-1-carbonyl]-8-methoxychromen-2-one
CID 121017574
2-(2-fluorophenyl)-1-[3-(6-methoxypyridazin-3-yl)oxypyrrolidin-1-yl]ethanone
CID 91627502
1-(4-chlorophenyl)-4-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]butane-1,4-dione
CID 121017556
1-(4-bromopiperidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 80661576

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 121017580) is 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCC(Oc2nc(C)cc(C)n2)C1.
What is the InChIKey of 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is FEPLBJZUNONDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-10-14(2)21-19(20-13)25-16-8-9-22(12-16)18(23)11-15-6-4-5-7-17(15)24-3/h4-7,10,16H,8-9,11-12H2,1-3H3.
What are the key properties of 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 341.41 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4,6-dimethylpyrimidin-2-yl)oxypyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 121017580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).