1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione

C11H12N4O4 — CID 40656548

IUPAC1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2[C@@H]2CCOC2=O)n(C)c1=O
InChIInChI=1S/C11H12N4O4/c1-13-8-7(9(16)14(2)11(13)18)15(5-12-8)6-3-4-19-10(6)17/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyRSUOBGMVCHIHCS-ZCFIWIBFSA-N
MW264.24 g/mol
LogP-1.08
Rot. Bonds1

About 1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione

1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione (PubChem CID 40656548) has the molecular formula C11H12N4O4 and a molecular weight of 264.24 g/mol. Its IUPAC name is 1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione
PubChem CID40656548
Molecular FormulaC11H12N4O4
Molecular Weight264.24 g/mol
Exact Mass264.09
IUPAC Name1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione
SMILESCn1c(=O)c2c(ncn2[C@@H]2CCOC2=O)n(C)c1=O
InChIInChI=1S/C11H12N4O4/c1-13-8-7(9(16)14(2)11(13)18)15(5-12-8)6-3-4-19-10(6)17/h5-6H,3-4H2,1-2H3/t6-/m1/s1
InChIKeyRSUOBGMVCHIHCS-ZCFIWIBFSA-N
XLogP-1.08
TPSA88.12 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.24
LogP ≤ 5-1.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione
CID 97085141
7-cyclopropyl-3-methyl-1-propan-2-ylpurine-2,6-dione
CID 134381897
7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione
CID 141225047
1,3,7-trimethylpurine-2,6-dione
CID 131953138
iron;1,3,7-trimethylpurine-2,6-dione
CID 158445461
1,3-dimethyl-7-(oxan-2-ylmethyl)purine-2,6-dione
CID 18775675
2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide
CID 110146271
methylidenepalladium;1,3,7-trimethylpurine-2,6-dione
CID 175189767
methoxymethane;1,3,7-trimethylpurine-2,6-dione
CID 175086770
hydroxysilane;1,3,7-trimethylpurine-2,6-dione
CID 159880606
acetic acid;7-(1,3-dioxolan-2-ylmethyl)-1,3-dimethylpurine-2,6-dione
CID 139072099
1,3-dimethyl-7-(2-morpholin-4-ylethyl)purine-2,6-dione
CID 736564

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione (CID 40656548) is 1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione is Cn1c(=O)c2c(ncn2[C@@H]2CCOC2=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione?
The InChIKey is RSUOBGMVCHIHCS-ZCFIWIBFSA-N. The full InChI is InChI=1S/C11H12N4O4/c1-13-8-7(9(16)14(2)11(13)18)15(5-12-8)6-3-4-19-10(6)17/h5-6H,3-4H2,1-2H3/t6-/m1/s1.
What are the key properties of 1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione?
1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione has a molecular weight of 264.24 g/mol, XLogP of -1.08, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione is sourced from PubChem (CID 40656548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).