4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one

C16H17N3O3 — CID 155915976

IUPAC4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one
SMILESCOc1ncc(-c2ccc(C3CNC(=O)C3)cc2)c(OC)n1
InChIInChI=1S/C16H17N3O3/c1-21-15-13(9-18-16(19-15)22-2)11-5-3-10(4-6-11)12-7-14(20)17-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,17,20)
InChIKeyOGIGBJLLHIPYCB-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.76
Rot. Bonds4

About 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one

4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one (PubChem CID 155915976) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one
PubChem CID155915976
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one
SMILESCOc1ncc(-c2ccc(C3CNC(=O)C3)cc2)c(OC)n1
InChIInChI=1S/C16H17N3O3/c1-21-15-13(9-18-16(19-15)22-2)11-5-3-10(4-6-11)12-7-14(20)17-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,17,20)
InChIKeyOGIGBJLLHIPYCB-UHFFFAOYSA-N
XLogP1.76
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,4-dimethoxy-5-(4-methylphenyl)pyrimidine
CID 90464410
(3aS,6aS)-5-[[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]methyl]-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-3-one
CID 170512760
4-methoxy-3-[4-(5-oxopyrrolidin-3-yl)phenyl]benzonitrile
CID 155919606
4-(4-methoxy-3-phenylphenyl)pyrrolidin-2-one
CID 14529704
2,4-dimethoxy-5-(4-propylphenyl)pyrimidine
CID 71176850
4-(4-cyclopropylphenyl)pyrrolidin-2-one
CID 79978170
4-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45216091
4-[4-(4,5-dimethylpyridazin-3-yl)phenyl]pyrrolidin-2-one
CID 155914465
(4R)-4-(4-bromophenyl)pyrrolidin-2-one;methyl formate
CID 142352445
4-[4-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)phenyl]pyrrolidin-2-one
CID 155916330
(4S)-4-(3-ethoxy-4-methoxyphenyl)pyrrolidin-2-one
CID 53237458
4-(4-acetylphenyl)pyrrolidin-2-one
CID 53417765

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one (CID 155915976) is 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one is COc1ncc(-c2ccc(C3CNC(=O)C3)cc2)c(OC)n1.
What is the InChIKey of 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one?
The InChIKey is OGIGBJLLHIPYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-15-13(9-18-16(19-15)22-2)11-5-3-10(4-6-11)12-7-14(20)17-8-12/h3-6,9,12H,7-8H2,1-2H3,(H,17,20).
What are the key properties of 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one?
4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one has a molecular weight of 299.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2,4-dimethoxypyrimidin-5-yl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 155915976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).