7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride

C19H26ClN5O2 — CID 70577095

IUPAC7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride
SMILESCCN(CC)CCn1c(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-5-23(6-2)12-13-24-15-17(21(3)19(26)22(4)18(15)25)20-16(24)14-10-8-7-9-11-14;/h7-11H,5-6,12-13H2,1-4H3;1H
InChIKeyYCJICDCGZUVELO-UHFFFAOYSA-N
MW391.90 g/mol
LogP1.86
Rot. Bonds6

About 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride

7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride (PubChem CID 70577095) has the molecular formula C19H26ClN5O2 and a molecular weight of 391.90 g/mol. Its IUPAC name is 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride
PubChem CID70577095
Molecular FormulaC19H26ClN5O2
Molecular Weight391.90 g/mol
Exact Mass391.18
IUPAC Name7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride
SMILESCCN(CC)CCn1c(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C.Cl
InChIInChI=1S/C19H25N5O2.ClH/c1-5-23(6-2)12-13-24-15-17(21(3)19(26)22(4)18(15)25)20-16(24)14-10-8-7-9-11-14;/h7-11H,5-6,12-13H2,1-4H3;1H
InChIKeyYCJICDCGZUVELO-UHFFFAOYSA-N
XLogP1.86
TPSA65.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.90
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;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

8-benzyl-7-[2-[ethyl(2-trimethylsilyloxyethyl)amino]ethyl]-1,3-dimethylpurine-2,6-dione
CID 600120
7-[2-(dibutylamino)ethyl]-1,3,8-trimethylpurine-2,6-dione;hydrochloride
CID 70578145
7-[2-(diethylamino)ethyl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 28328
3-[3-(diethylamino)propyl]-2-phenylquinazolin-4-one
CID 23736145
1,3-dimethyl-7-propyl-8-thiophen-3-ylpurine-2,6-dione
CID 154715802
1-[2-(diethylamino)ethyl]-2,6-dimethyl-5-phenylpyrimidin-4-one;dihydrochloride
CID 90485541
8-(4-chlorophenyl)-7-ethyl-1,3-dimethylpurine-2,6-dione;N-ethylethanamine
CID 20562658
6-[2-(diethylamino)ethyl]-4,7-dimethyl-2-(2-phenylethyl)purino[7,8-a]imidazole-1,3-dione
CID 16615248
1,3-dimethyl-7-(2-methylpropyl)-8-phenyl-2-sulfanylidenepurin-6-one
CID 141333796
6-ethyl-2,4-dimethyl-7-phenylpurino[7,8-a]imidazole-1,3-dione
CID 3162690
7-benzyl-1,3-dimethyl-8-methylsulfanylpurine-2,6-dione
CID 628923
3-[2-(diethylamino)ethyl]-6,6-dimethyl-2-phenyl-5,7-dihydrobenzimidazol-4-one
CID 15270694

Frequently Asked Questions

What is the IUPAC name of 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride?
The IUPAC name of 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride (CID 70577095) is 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride.
What is the SMILES notation for 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride?
The canonical SMILES for 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride is CCN(CC)CCn1c(-c2ccccc2)nc2c1c(=O)n(C)c(=O)n2C.Cl.
What is the InChIKey of 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride?
The InChIKey is YCJICDCGZUVELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2.ClH/c1-5-23(6-2)12-13-24-15-17(21(3)19(26)22(4)18(15)25)20-16(24)14-10-8-7-9-11-14;/h7-11H,5-6,12-13H2,1-4H3;1H.
What are the key properties of 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride?
7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride has a molecular weight of 391.90 g/mol, XLogP of 1.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(diethylamino)ethyl]-1,3-dimethyl-8-phenylpurine-2,6-dione;hydrochloride is sourced from PubChem (CID 70577095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).