2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

C16H24N6O3 — CID 119529913

IUPAC2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCNC1
InChIInChI=1S/C16H24N6O3/c1-4-7-21(11-5-6-17-8-11)12(23)9-22-15(24)13-14(18-10-19(13)2)20(3)16(22)25/h10-11,17H,4-9H2,1-3H3
InChIKeyVHZBFKHJEVTZJS-UHFFFAOYSA-N
MW348.41 g/mol
LogP-0.97
Rot. Bonds5

About 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide

2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (PubChem CID 119529913) has the molecular formula C16H24N6O3 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.

Molecular Properties

Compound Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
PubChem CID119529913
Molecular FormulaC16H24N6O3
Molecular Weight348.41 g/mol
Exact Mass348.19
IUPAC Name2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
SMILESCCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCNC1
InChIInChI=1S/C16H24N6O3/c1-4-7-21(11-5-6-17-8-11)12(23)9-22-15(24)13-14(18-10-19(13)2)20(3)16(22)25/h10-11,17H,4-9H2,1-3H3
InChIKeyVHZBFKHJEVTZJS-UHFFFAOYSA-N
XLogP-0.97
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide 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-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119550051
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119550050
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 47096637
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119532672
2-(2,4-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119530519
2-(6-oxo-3-phenylpyridazin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531551
2-(2-oxopyrrolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 60806352
2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530186
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-piperidin-4-yl-N-propylpropanamide
CID 119824718
2-(2-oxoazepan-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide
CID 119531180
N-propyl-N-pyrrolidin-3-yl-3-(1,2,4-triazol-1-yl)propanamide
CID 60806180
3-ethyl-7-methyl-1-pyrrolidin-3-ylpurine-2,6-dione
CID 82466211

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The IUPAC name of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide (CID 119529913) is 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide.
What is the SMILES notation for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The canonical SMILES for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide is CCCN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCNC1.
What is the InChIKey of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
The InChIKey is VHZBFKHJEVTZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O3/c1-4-7-21(11-5-6-17-8-11)12(23)9-22-15(24)13-14(18-10-19(13)2)20(3)16(22)25/h10-11,17H,4-9H2,1-3H3.
What are the key properties of 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide?
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide has a molecular weight of 348.41 g/mol, XLogP of -0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-propyl-N-pyrrolidin-3-ylacetamide is sourced from PubChem (CID 119529913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).