7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione

C13H16N4O4 — CID 141225047

IUPAC7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2C2C3C(O)CCC32O)n(C)c1=O
InChIInChI=1S/C13H16N4O4/c1-15-10-8(11(19)16(2)12(15)20)17(5-14-10)9-7-6(18)3-4-13(7,9)21/h5-7,9,18,21H,3-4H2,1-2H3
InChIKeyZRKZBGKHWNENRZ-UHFFFAOYSA-N
MW292.30 g/mol
LogP-1.51
Rot. Bonds1

About 7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione

7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione (PubChem CID 141225047) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione
PubChem CID141225047
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione
SMILESCn1c(=O)c2c(ncn2C2C3C(O)CCC32O)n(C)c1=O
InChIInChI=1S/C13H16N4O4/c1-15-10-8(11(19)16(2)12(15)20)17(5-14-10)9-7-6(18)3-4-13(7,9)21/h5-7,9,18,21H,3-4H2,1-2H3
InChIKeyZRKZBGKHWNENRZ-UHFFFAOYSA-N
XLogP-1.51
TPSA102.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione with MolForge

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Related Compounds

1,3-dimethyl-7-[(3R)-2-oxooxolan-3-yl]purine-2,6-dione
CID 40656548
2-[(3R,4R)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3-hydroxy-3-methylpiperidin-1-yl]acetamide
CID 110146271
7-cyclopropyl-3-methyl-1-propan-2-ylpurine-2,6-dione
CID 134381897
1,3,7-trimethylpurine-2,6-dione
CID 131953138
1,3-dimethyl-7-[(3S)-2-oxo-1-propan-2-ylpiperidin-3-yl]purine-2,6-dione
CID 97085141
hydroxysilane;1,3,7-trimethylpurine-2,6-dione
CID 159880606
iron;1,3,7-trimethylpurine-2,6-dione
CID 158445461
7-[(3R,4R,6S)-1-(4-aminobutanoyl)-4,6-dihydroxy-4-methylazepan-3-yl]-1,3-dimethylpurine-2,6-dione;hydrochloride
CID 171687681
ethane-1,2-diol;1,3,7-trimethylpurine-2,6-dione
CID 122445304
methoxymethane;1,3,7-trimethylpurine-2,6-dione
CID 175086770
methylidenepalladium;1,3,7-trimethylpurine-2,6-dione
CID 175189767
acetic acid;propan-2-one;1,3,7-trimethylpurine-2,6-dione
CID 70407407

Frequently Asked Questions

What is the IUPAC name of 7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione (CID 141225047) is 7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione is Cn1c(=O)c2c(ncn2C2C3C(O)CCC32O)n(C)c1=O.
What is the InChIKey of 7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione?
The InChIKey is ZRKZBGKHWNENRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-15-10-8(11(19)16(2)12(15)20)17(5-14-10)9-7-6(18)3-4-13(7,9)21/h5-7,9,18,21H,3-4H2,1-2H3.
What are the key properties of 7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione?
7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione has a molecular weight of 292.30 g/mol, XLogP of -1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,4-dihydroxy-6-bicyclo[3.1.0]hexanyl)-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 141225047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).