1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione

C11H12N6O3 — CID 18147410

IUPAC1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione
SMILESCc1noc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C11H12N6O3/c1-6-13-7(20-14-6)4-17-5-12-9-8(17)10(18)16(3)11(19)15(9)2/h5H,4H2,1-3H3
InChIKeyLGOPOEAYNULKDS-UHFFFAOYSA-N
MW276.26 g/mol
LogP-0.83
Rot. Bonds2

About 1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione

1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione (PubChem CID 18147410) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione
PubChem CID18147410
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione
SMILESCc1noc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1
InChIInChI=1S/C11H12N6O3/c1-6-13-7(20-14-6)4-17-5-12-9-8(17)10(18)16(3)11(19)15(9)2/h5H,4H2,1-3H3
InChIKeyLGOPOEAYNULKDS-UHFFFAOYSA-N
XLogP-0.83
TPSA100.74 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione with MolForge

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Related Compounds

7-[[5-(ethoxymethyl)-1,2,4-oxadiazol-3-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 70414027
7-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 40672171
1,3-dimethyl-7-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]purine-2,6-dione
CID 154781046
7-[(3-methoxy-1,2-oxazol-5-yl)methyl]-1,3-dimethylpurine-2,6-dione
CID 146136750
7-(aminomethyl)-1,3-dimethylpurine-2,6-dione
CID 22105142
ethane;7-ethyl-1,3-dimethylpurine-2,6-dione
CID 145188731
7-[(4-chlorophenyl)methyl]-1,3-dimethylpurine-2,6-dione
CID 706880
7-[(5-chlorothiophen-2-yl)methyl]-1,3-dimethylpurine-2,6-dione
CID 47110926
5-amino-6-chloro-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyrimidin-4-one
CID 114582854
6-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 51106016
1,3-dimethyl-7-[(3-phenyl-1,2-oxazol-5-yl)methyl]purine-2,6-dione
CID 1257284
7-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-1,3-dimethylpurine-2,6-dione
CID 17437890

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione (CID 18147410) is 1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione is Cc1noc(Cn2cnc3c2c(=O)n(C)c(=O)n3C)n1.
What is the InChIKey of 1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione?
The InChIKey is LGOPOEAYNULKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-6-13-7(20-14-6)4-17-5-12-9-8(17)10(18)16(3)11(19)15(9)2/h5H,4H2,1-3H3.
What are the key properties of 1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione?
1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione has a molecular weight of 276.26 g/mol, XLogP of -0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]purine-2,6-dione is sourced from PubChem (CID 18147410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).