1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one

C16H17N3O3 — CID 74247323

IUPAC1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCOc1cccc(C2CCN2C(=O)Cn2cccnc2=O)c1
InChIInChI=1S/C16H17N3O3/c1-22-13-5-2-4-12(10-13)14-6-9-19(14)15(20)11-18-8-3-7-17-16(18)21/h2-5,7-8,10,14H,6,9,11H2,1H3
InChIKeyLLSYNIDGARDHNG-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.23
Rot. Bonds4

About 1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 74247323) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID74247323
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCOc1cccc(C2CCN2C(=O)Cn2cccnc2=O)c1
InChIInChI=1S/C16H17N3O3/c1-22-13-5-2-4-12(10-13)14-6-9-19(14)15(20)11-18-8-3-7-17-16(18)21/h2-5,7-8,10,14H,6,9,11H2,1H3
InChIKeyLLSYNIDGARDHNG-UHFFFAOYSA-N
XLogP1.23
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-1-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 97269461
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-3-(trifluoromethyl)pyridin-2-one
CID 97284050
2-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]isoquinolin-1-one
CID 97285089
1-[2-[2-(3-methoxyphenyl)piperidin-1-yl]-2-oxoethyl]pyridin-2-one
CID 118781505
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97282486
4-[2-[(2R)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 97280605
1-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrrolidin-2-one
CID 97279560
3-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
CID 97277567
2-[2-[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]phthalazin-1-one
CID 97152481
1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 70768855
3-(3-hydroxyphenyl)-1-[2-(3-methoxyphenyl)azetidin-1-yl]propan-1-one
CID 137334837
bis[2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 174863821

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one (CID 74247323) is 1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one is COc1cccc(C2CCN2C(=O)Cn2cccnc2=O)c1.
What is the InChIKey of 1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is LLSYNIDGARDHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-22-13-5-2-4-12(10-13)14-6-9-19(14)15(20)11-18-8-3-7-17-16(18)21/h2-5,7-8,10,14H,6,9,11H2,1H3.
What are the key properties of 1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 299.33 g/mol, XLogP of 1.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-methoxyphenyl)azetidin-1-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 74247323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).