7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one

C20H23N5O3 — CID 22617809

IUPAC7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one
SMILESCC1CN(C(=O)Cn2c(=O)n(C)c3nc(-c4ccccc4)ncc32)CC(C)O1
InChIInChI=1S/C20H23N5O3/c1-13-10-24(11-14(2)28-13)17(26)12-25-16-9-21-18(15-7-5-4-6-8-15)22-19(16)23(3)20(25)27/h4-9,13-14H,10-12H2,1-3H3
InChIKeyUCKQWYSCKLGNOE-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.43
Rot. Bonds3

About 7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one

7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one (PubChem CID 22617809) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one.

Molecular Properties

Compound Name7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one
PubChem CID22617809
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one
SMILESCC1CN(C(=O)Cn2c(=O)n(C)c3nc(-c4ccccc4)ncc32)CC(C)O1
InChIInChI=1S/C20H23N5O3/c1-13-10-24(11-14(2)28-13)17(26)12-25-16-9-21-18(15-7-5-4-6-8-15)22-19(16)23(3)20(25)27/h4-9,13-14H,10-12H2,1-3H3
InChIKeyUCKQWYSCKLGNOE-UHFFFAOYSA-N
XLogP1.43
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one?
The IUPAC name of 7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one (CID 22617809) is 7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one.
What is the SMILES notation for 7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one?
The canonical SMILES for 7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one is CC1CN(C(=O)Cn2c(=O)n(C)c3nc(-c4ccccc4)ncc32)CC(C)O1.
What is the InChIKey of 7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one?
The InChIKey is UCKQWYSCKLGNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-10-24(11-14(2)28-13)17(26)12-25-16-9-21-18(15-7-5-4-6-8-15)22-19(16)23(3)20(25)27/h4-9,13-14H,10-12H2,1-3H3.
What are the key properties of 7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one?
7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one has a molecular weight of 381.44 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]-9-methyl-2-phenylpurin-8-one is sourced from PubChem (CID 22617809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).