2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one

C20H25N3O5 — CID 136673377

IUPAC2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-12-21-15(10-18(24)22-12)14-5-6-23(11-14)19(25)9-13-7-16(26-2)20(28-4)17(8-13)27-3/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,21,22,24)/t14-/m1/s1
InChIKeyGBHLGXHFYZABKJ-CQSZACIVSA-N
MW387.44 g/mol
LogP1.66
Rot. Bonds6

About 2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136673377) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
PubChem CID136673377
Molecular FormulaC20H25N3O5
Molecular Weight387.44 g/mol
Exact Mass387.18
IUPAC Name2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one
SMILESCOc1cc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc(OC)c1OC
InChIInChI=1S/C20H25N3O5/c1-12-21-15(10-18(24)22-12)14-5-6-23(11-14)19(25)9-13-7-16(26-2)20(28-4)17(8-13)27-3/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,21,22,24)/t14-/m1/s1
InChIKeyGBHLGXHFYZABKJ-CQSZACIVSA-N
XLogP1.66
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136819876
4-[1-[2-(2-methoxyphenyl)acetyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136760277
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119412512
2-methyl-4-[(3S)-1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706677
2-methyl-4-[(3R)-1-[2-(4-methylsulfanylphenyl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136706676
2-methyl-4-[(3S)-1-[2-(4-methyl-1,2,5-oxadiazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136822825
4-[(3R)-1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136763679
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119541516
1-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-2-(3,4,5-trimethoxyphenyl)ethanone;hydrochloride
CID 119638403
4-[(3S)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136735331
1-(3-piperazin-1-ylpyrrolidin-1-yl)-2-(3,4,5-trimethoxyphenyl)ethanone
CID 120996197
4-[(2S)-4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137052908

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one (CID 136673377) is 2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one is COc1cc(CC(=O)N2CC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc(OC)c1OC.
What is the InChIKey of 2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is GBHLGXHFYZABKJ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-12-21-15(10-18(24)22-12)14-5-6-23(11-14)19(25)9-13-7-16(26-2)20(28-4)17(8-13)27-3/h7-8,10,14H,5-6,9,11H2,1-4H3,(H,21,22,24)/t14-/m1/s1.
What are the key properties of 2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one has a molecular weight of 387.44 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(3R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136673377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).