(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

C21H24N4O3 — CID 135963627

IUPAC(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
SMILESCCc1c(C)nc([C@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc32)[nH]c1=O
InChIInChI=1S/C21H24N4O3/c1-3-13-12(2)22-19(24-20(13)27)17-9-6-10-25(17)18(26)11-16-14-7-4-5-8-15(14)21(28)23-16/h4-5,7-8,16-17H,3,6,9-11H2,1-2H3,(H,23,28)(H,22,24,27)/t16-,17-/m1/s1
InChIKeyZTKFFFWEXINTIU-IAGOWNOFSA-N
MW380.45 g/mol
LogP2.18
Rot. Bonds4

About (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

(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 (PubChem CID 135963627) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID135963627
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name(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
SMILESCCc1c(C)nc([C@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc32)[nH]c1=O
InChIInChI=1S/C21H24N4O3/c1-3-13-12(2)22-19(24-20(13)27)17-9-6-10-25(17)18(26)11-16-14-7-4-5-8-15(14)21(28)23-16/h4-5,7-8,16-17H,3,6,9-11H2,1-2H3,(H,23,28)(H,22,24,27)/t16-,17-/m1/s1
InChIKeyZTKFFFWEXINTIU-IAGOWNOFSA-N
XLogP2.18
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (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 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

(3S)-3-[2-[(2S)-2-(1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 97496450
(3R)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 135963344
(3S)-3-[2-oxo-2-[(2R)-2-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)pyrrolidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 135963342
5-ethyl-4-methyl-2-[(2R)-1-[2-(3,4,5-trimethoxyphenyl)acetyl]pyrrolidin-2-yl]-1H-pyrimidin-6-one
CID 136734982
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
2-[(2R)-1-[2-(2-fluorophenyl)acetyl]pyrrolidin-2-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135963772
(3S)-3-[2-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 42170229
N-[1-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)piperidin-3-yl]-2-(3-oxo-1,2-dihydroisoindol-1-yl)acetamide
CID 136816049
(3R)-3-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 125170500
2-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-4-methyl-1H-pyrimidin-6-one
CID 135963652
2-[(2R)-1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 136860381
2-[(2R)-1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-5-fluoro-4-methyl-1H-pyrimidin-6-one
CID 135963686

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is CCc1c(C)nc([C@H]2CCCN2C(=O)C[C@H]2NC(=O)c3ccccc32)[nH]c1=O.
What is the InChIKey of (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?
The InChIKey is ZTKFFFWEXINTIU-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-3-13-12(2)22-19(24-20(13)27)17-9-6-10-25(17)18(26)11-16-14-7-4-5-8-15(14)21(28)23-16/h4-5,7-8,16-17H,3,6,9-11H2,1-2H3,(H,23,28)(H,22,24,27)/t16-,17-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 380.45 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 135963627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).