N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride

C15H25ClN6O3 — CID 24844051

IUPACN-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride
SMILESCCN(CC)CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cl
InChIInChI=1S/C15H24N6O3.ClH/c1-5-20(6-2)8-7-16-11(22)9-21-10-17-13-12(21)14(23)19(4)15(24)18(13)3;/h10H,5-9H2,1-4H3,(H,16,22);1H
InChIKeyPMVLKOZEMDZCBG-UHFFFAOYSA-N
MW372.86 g/mol
LogP-0.69
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride

N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride (PubChem CID 24844051) has the molecular formula C15H25ClN6O3 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride
PubChem CID24844051
Molecular FormulaC15H25ClN6O3
Molecular Weight372.86 g/mol
Exact Mass372.17
IUPAC NameN-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride
SMILESCCN(CC)CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cl
InChIInChI=1S/C15H24N6O3.ClH/c1-5-20(6-2)8-7-16-11(22)9-21-10-17-13-12(21)14(23)19(4)15(24)18(13)3;/h10H,5-9H2,1-4H3,(H,16,22);1H
InChIKeyPMVLKOZEMDZCBG-UHFFFAOYSA-N
XLogP-0.69
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride 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

N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride
CID 24844053
N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 3126535
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 28328
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 18775835
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenoxyethyl)acetamide
CID 27234230
methyl 6-[[2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetyl]amino]hexanoate
CID 3771583
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-propan-2-ylacetamide
CID 694655
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 718152
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)ethyl]acetamide
CID 122277346
ethane;7-ethyl-1,3-dimethylpurine-2,6-dione
CID 145188731
N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 4785365
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(pyridin-2-ylmethyl)acetamide
CID 742942

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride?
The IUPAC name of N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride (CID 24844051) is N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride?
The canonical SMILES for N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride is CCN(CC)CCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cl.
What is the InChIKey of N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride?
The InChIKey is PMVLKOZEMDZCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O3.ClH/c1-5-20(6-2)8-7-16-11(22)9-21-10-17-13-12(21)14(23)19(4)15(24)18(13)3;/h10H,5-9H2,1-4H3,(H,16,22);1H.
What are the key properties of N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride?
N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride has a molecular weight of 372.86 g/mol, XLogP of -0.69, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride is sourced from PubChem (CID 24844051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).