6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one

C22H27N3O4 — CID 126768105

IUPAC6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCOc1ccc(C2CCCN2C(=O)Cn2cnc(C3CCC3)cc2=O)c(OC)c1
InChIInChI=1S/C22H27N3O4/c1-28-16-8-9-17(20(11-16)29-2)19-7-4-10-25(19)22(27)13-24-14-23-18(12-21(24)26)15-5-3-6-15/h8-9,11-12,14-15,19H,3-7,10,13H2,1-2H3
InChIKeyMMUPIRRXUJHAMT-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.89
Rot. Bonds6

About 6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one

6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 126768105) has the molecular formula C22H27N3O4 and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one
PubChem CID126768105
Molecular FormulaC22H27N3O4
Molecular Weight397.48 g/mol
Exact Mass397.20
IUPAC Name6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCOc1ccc(C2CCCN2C(=O)Cn2cnc(C3CCC3)cc2=O)c(OC)c1
InChIInChI=1S/C22H27N3O4/c1-28-16-8-9-17(20(11-16)29-2)19-7-4-10-25(19)22(27)13-24-14-23-18(12-21(24)26)15-5-3-6-15/h8-9,11-12,14-15,19H,3-7,10,13H2,1-2H3
InChIKeyMMUPIRRXUJHAMT-UHFFFAOYSA-N
XLogP2.89
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-6-fluoroquinazolin-4-one
CID 46587886
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-ethoxyphenoxy)ethanone
CID 46636671
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 51255933
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
1-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-(2,4,6-trimethylphenoxy)ethanone
CID 26818280
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(3,4-dimethylphenoxy)propan-1-one
CID 55565941
1-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-N,N-diethyl-6-oxopyridine-3-sulfonamide
CID 43019286
2-[3-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-oxopropyl]sulfanylacetamide
CID 30829822
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-4-(methylamino)butan-1-one
CID 119693379
methyl N-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 75404379
5-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethoxy]-2-methyl-1H-pyridin-4-one
CID 128963558
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[4-(2-methylpropyl)piperazin-1-yl]ethanone
CID 60503715

Frequently Asked Questions

What is the IUPAC name of 6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 126768105) is 6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one is COc1ccc(C2CCCN2C(=O)Cn2cnc(C3CCC3)cc2=O)c(OC)c1.
What is the InChIKey of 6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is MMUPIRRXUJHAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O4/c1-28-16-8-9-17(20(11-16)29-2)19-7-4-10-25(19)22(27)13-24-14-23-18(12-21(24)26)15-5-3-6-15/h8-9,11-12,14-15,19H,3-7,10,13H2,1-2H3.
What are the key properties of 6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one?
6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 397.48 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclobutyl-3-[2-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 126768105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).