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

C16H27ClN6O3 — CID 24844053

IUPACN-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cl
InChIInChI=1S/C16H26N6O3.ClH/c1-5-21(6-2)9-7-8-17-12(23)10-22-11-18-14-13(22)15(24)20(4)16(25)19(14)3;/h11H,5-10H2,1-4H3,(H,17,23);1H
InChIKeyFRGFQZZFSYCZLL-UHFFFAOYSA-N
MW386.88 g/mol
LogP-0.30
Rot. Bonds8

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

N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride (PubChem CID 24844053) has the molecular formula C16H27ClN6O3 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride
PubChem CID24844053
Molecular FormulaC16H27ClN6O3
Molecular Weight386.88 g/mol
Exact Mass386.18
IUPAC NameN-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride
SMILESCCN(CC)CCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cl
InChIInChI=1S/C16H26N6O3.ClH/c1-5-21(6-2)9-7-8-17-12(23)10-22-11-18-14-13(22)15(24)20(4)16(25)19(14)3;/h11H,5-10H2,1-4H3,(H,17,23);1H
InChIKeyFRGFQZZFSYCZLL-UHFFFAOYSA-N
XLogP-0.30
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide
CID 3126535
N-[2-(diethylamino)ethyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride
CID 24844051
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 28328
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-(2,2,2-trifluoroethyl)acetamide
CID 18775835
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-phenoxyethyl)acetamide
CID 27234230
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-[3-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 38448878
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(2S)-pentan-2-yl]acetamide
CID 718152
N-(3-butoxypropyl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide
CID 37346021
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride?
The IUPAC name of N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride (CID 24844053) is N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride?
The canonical SMILES for N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride is CCN(CC)CCCNC(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C.Cl.
What is the InChIKey of N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride?
The InChIKey is FRGFQZZFSYCZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3.ClH/c1-5-21(6-2)9-7-8-17-12(23)10-22-11-18-14-13(22)15(24)20(4)16(25)19(14)3;/h11H,5-10H2,1-4H3,(H,17,23);1H.
What are the key properties of N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride?
N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride has a molecular weight of 386.88 g/mol, XLogP of -0.30, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylamino)propyl]-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetamide;hydrochloride is sourced from PubChem (CID 24844053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).