2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid

C15H21N5O5 — CID 42109325

IUPAC2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid
SMILESC[C@@H]1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)O)C[C@@H](C)O1
InChIInChI=1S/C15H21N5O5/c1-8-5-19(6-9(2)25-8)14-16-12-11(20(14)7-10(21)22)13(23)18(4)15(24)17(12)3/h8-9H,5-7H2,1-4H3,(H,21,22)/t8-,9-/m1/s1
InChIKeyADMCAOYHLDMBDU-RKDXNWHRSA-N
MW351.36 g/mol
LogP-0.87
Rot. Bonds3

About 2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid

2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid (PubChem CID 42109325) has the molecular formula C15H21N5O5 and a molecular weight of 351.36 g/mol. Its IUPAC name is 2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid
PubChem CID42109325
Molecular FormulaC15H21N5O5
Molecular Weight351.36 g/mol
Exact Mass351.15
IUPAC Name2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid
SMILESC[C@@H]1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)O)C[C@@H](C)O1
InChIInChI=1S/C15H21N5O5/c1-8-5-19(6-9(2)25-8)14-16-12-11(20(14)7-10(21)22)13(23)18(4)15(24)17(12)3/h8-9H,5-7H2,1-4H3,(H,21,22)/t8-,9-/m1/s1
InChIKeyADMCAOYHLDMBDU-RKDXNWHRSA-N
XLogP-0.87
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid 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-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3,7-trimethylpurine-2,6-dione
CID 941006
8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-7-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1,3-dimethylpurine-2,6-dione
CID 41106072
2-(8-cyclopropyl-1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid
CID 118975757
2-[8-(azepan-1-yl)-1,3-dimethyl-2,6-dioxopurin-7-yl]acetamide
CID 16805311
1,3-dimethyl-7-phenacyl-8-piperidin-1-ylpurine-2,6-dione
CID 1036712
8-[(2,6-dimethylmorpholin-4-yl)methyl]-1,3-dimethyl-7-pentylpurine-2,6-dione
CID 3255105
8-[(2,6-dimethylmorpholin-4-yl)methyl]-7-heptyl-1,3-dimethylpurine-2,6-dione
CID 5129241
7-[2-(1-adamantyl)-2-oxoethyl]-1,3-dimethyl-8-piperidin-1-ylpurine-2,6-dione
CID 3745166
1-[(3,4-dichlorophenyl)methyl]-8-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3,7-dimethylpurine-2,6-dione
CID 7006959
8-(3-aminopiperidin-1-yl)-7-(2-chlorobut-2-enyl)-1,3-dimethylpurine-2,6-dione
CID 90809123
1,3-dimethyl-7-(2-methylprop-2-enyl)-8-piperazin-1-ylpurine-2,6-dione;2,2,2-trifluoroacetic acid
CID 22029906
1,3-dimethyl-8-(3-methylpiperidin-1-yl)-7-(2-methylpropyl)purine-2,6-dione
CID 16802682

Frequently Asked Questions

What is the IUPAC name of 2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid?
The IUPAC name of 2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid (CID 42109325) is 2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid.
What is the SMILES notation for 2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid?
The canonical SMILES for 2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid is C[C@@H]1CN(c2nc3c(c(=O)n(C)c(=O)n3C)n2CC(=O)O)C[C@@H](C)O1.
What is the InChIKey of 2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid?
The InChIKey is ADMCAOYHLDMBDU-RKDXNWHRSA-N. The full InChI is InChI=1S/C15H21N5O5/c1-8-5-19(6-9(2)25-8)14-16-12-11(20(14)7-10(21)22)13(23)18(4)15(24)17(12)3/h8-9H,5-7H2,1-4H3,(H,21,22)/t8-,9-/m1/s1.
What are the key properties of 2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid?
2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid has a molecular weight of 351.36 g/mol, XLogP of -0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1,3-dimethyl-2,6-dioxopurin-7-yl]acetic acid is sourced from PubChem (CID 42109325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).