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

C22H29N3O5 — CID 136734982

IUPAC5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc([C@H]2CCCN2C(=O)Cc2cc(OC)c(OC)c(OC)c2)[nH]c1=O
InChIInChI=1S/C22H29N3O5/c1-6-15-13(2)23-21(24-22(15)27)16-8-7-9-25(16)19(26)12-14-10-17(28-3)20(30-5)18(11-14)29-4/h10-11,16H,6-9,12H2,1-5H3,(H,23,24,27)/t16-/m1/s1
InChIKeyVGLZJFZGUFOUCH-MRXNPFEDSA-N
MW415.49 g/mol
LogP2.57
Rot. Bonds7

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

5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (PubChem CID 136734982) has the molecular formula C22H29N3O5 and a molecular weight of 415.49 g/mol. Its IUPAC name is 5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
PubChem CID136734982
Molecular FormulaC22H29N3O5
Molecular Weight415.49 g/mol
Exact Mass415.21
IUPAC Name5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
SMILESCCc1c(C)nc([C@H]2CCCN2C(=O)Cc2cc(OC)c(OC)c(OC)c2)[nH]c1=O
InChIInChI=1S/C22H29N3O5/c1-6-15-13(2)23-21(24-22(15)27)16-8-7-9-25(16)19(26)12-14-10-17(28-3)20(30-5)18(11-14)29-4/h10-11,16H,6-9,12H2,1-5H3,(H,23,24,27)/t16-/m1/s1
InChIKeyVGLZJFZGUFOUCH-MRXNPFEDSA-N
XLogP2.57
TPSA93.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-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

2-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135963652
(3R)-3-[2-[(2R)-2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 135963627
2-[(2S)-1-[3-(3-ethoxy-1,2-oxazol-5-yl)propanoyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 136734978
1-[2-(4-pyridin-4-yl-1H-pyrazol-5-yl)pyrrolidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 110224827
1-[2-(aminomethyl)piperidin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone
CID 119468901
2-[(2R)-1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135963772
5-[2-[(2R)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136903628
5-[2-[(2S)-2-(3,4-dimethylphenyl)pyrrolidin-1-yl]-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136903627
2-[(2R)-1-[2-(4-ethoxyphenyl)acetyl]pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 135963718
2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 135963686
2-(4-methoxyphenyl)-1-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 124955488
2-(4-methoxyphenyl)-1-[2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]ethanone
CID 110104413

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one (CID 136734982) is 5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is CCc1c(C)nc([C@H]2CCCN2C(=O)Cc2cc(OC)c(OC)c(OC)c2)[nH]c1=O.
What is the InChIKey of 5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is VGLZJFZGUFOUCH-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H29N3O5/c1-6-15-13(2)23-21(24-22(15)27)16-8-7-9-25(16)19(26)12-14-10-17(28-3)20(30-5)18(11-14)29-4/h10-11,16H,6-9,12H2,1-5H3,(H,23,24,27)/t16-/m1/s1.
What are the key properties of 5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one?
5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 415.49 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136734982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).