N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride

C19H25ClN6O3 — CID 120886999

IUPACN-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCl.Cn1cnc2c1c(=O)n(CC(=O)N(CCN)CCc1ccccc1)c(=O)n2C
InChIInChI=1S/C19H24N6O3.ClH/c1-22-13-21-17-16(22)18(27)25(19(28)23(17)2)12-15(26)24(11-9-20)10-8-14-6-4-3-5-7-14;/h3-7,13H,8-12,20H2,1-2H3;1H
InChIKeyOEXQATGVYQUBDR-UHFFFAOYSA-N
MW420.90 g/mol
LogP-0.11
Rot. Bonds7

About N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride

N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride (PubChem CID 120886999) has the molecular formula C19H25ClN6O3 and a molecular weight of 420.90 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
PubChem CID120886999
Molecular FormulaC19H25ClN6O3
Molecular Weight420.90 g/mol
Exact Mass420.17
IUPAC NameN-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride
SMILESCl.Cn1cnc2c1c(=O)n(CC(=O)N(CCN)CCc1ccccc1)c(=O)n2C
InChIInChI=1S/C19H24N6O3.ClH/c1-22-13-21-17-16(22)18(27)25(19(28)23(17)2)12-15(26)24(11-9-20)10-8-14-6-4-3-5-7-14;/h3-7,13H,8-12,20H2,1-2H3;1H
InChIKeyOEXQATGVYQUBDR-UHFFFAOYSA-N
XLogP-0.11
TPSA108.15 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.90
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)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-(1,3-benzothiazol-2-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide
CID 112763403
N-(2-aminoethyl)-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-phenylethyl)acetamide
CID 120886492
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 47096637
(3,7-dimethyl-2,6-dioxopurin-1-yl)methyl-(2-phenylethyl)azanium chloride
CID 110174096
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 17407973
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 26979636
1-[3-[3-(3-aminopropyl)-7-methyl-2,6-dioxopurin-1-yl]propyl]-3,7-dimethylpurine-2,6-dione
CID 15604420
1-benzyl-3,7-dimethylpurine-2,6-dione;chloro hypochlorite;selane
CID 174537042
1-[3-(benzylamino)propyl]-3,7-dimethylpurine-2,6-dione
CID 54209939
N-[2-(4-chlorophenyl)ethyl]-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide
CID 27646584
N-(2-aminoethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2-phenylethyl)acetamide
CID 120884912

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride (CID 120886999) is N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride is Cl.Cn1cnc2c1c(=O)n(CC(=O)N(CCN)CCc1ccccc1)c(=O)n2C.
What is the InChIKey of N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
The InChIKey is OEXQATGVYQUBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O3.ClH/c1-22-13-21-17-16(22)18(27)25(19(28)23(17)2)12-15(26)24(11-9-20)10-8-14-6-4-3-5-7-14;/h3-7,13H,8-12,20H2,1-2H3;1H.
What are the key properties of N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride?
N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride has a molecular weight of 420.90 g/mol, XLogP of -0.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-phenylethyl)acetamide;hydrochloride is sourced from PubChem (CID 120886999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).