8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione

C12H12N4O3 — CID 102432253

IUPAC8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione
SMILESCn1c(=O)c2nc(-c3ccco3)n(C)c2n(C)c1=O
InChIInChI=1S/C12H12N4O3/c1-14-9(7-5-4-6-19-7)13-8-10(14)15(2)12(18)16(3)11(8)17/h4-6H,1-3H3
InChIKeyXNFFNQCEFFSYDW-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.23
Rot. Bonds1

About 8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione

8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione (PubChem CID 102432253) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is 8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione.

Molecular Properties

Compound Name8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione
PubChem CID102432253
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione
SMILESCn1c(=O)c2nc(-c3ccco3)n(C)c2n(C)c1=O
InChIInChI=1S/C12H12N4O3/c1-14-9(7-5-4-6-19-7)13-8-10(14)15(2)12(18)16(3)11(8)17/h4-6H,1-3H3
InChIKeyXNFFNQCEFFSYDW-UHFFFAOYSA-N
XLogP0.23
TPSA74.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-butyl-2-(furan-2-yl)-1-methylimidazo[4,5-c]quinolin-4-one;hydrochloride
CID 10089737
2-(furan-2-yl)-1-methyl-4,5-diphenylimidazole
CID 15129898
8-[(E)-2-(3-chlorophenyl)ethenyl]-1,3,9-trimethylpurine-2,6-dione
CID 56972151
8-[(Z)-1-chloro-2-phenylethenyl]-1,3,9-trimethylpurine-2,6-dione
CID 133109922
8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione
CID 112569089
2-(furan-2-yl)-3-(1-methylbenzimidazol-2-yl)quinazolin-4-one
CID 659799
8-bromo-1,3-dimethyl-9-(2-phenylethyl)purine-2,6-dione
CID 24685573
2-[3-(furan-2-yl)-5-oxo-1H-1,2,4-triazol-4-yl]propanoic acid
CID 56861241
5-chloro-2-(furan-2-yl)-1-methylimidazole
CID 117259184
N-tert-butyl-N-[2-(furan-2-yl)-5,7-dimethylimidazo[4,5-b]pyridin-3-yl]acetamide
CID 152560187
6-(3,4-dimethylphenyl)-7-(furan-2-yl)-2,4-dimethylpurino[7,8-a]imidazole-1,3-dione
CID 16762582
3-(furan-2-yl)-1-methylquinolin-2-one
CID 15733006

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione?
The IUPAC name of 8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione (CID 102432253) is 8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione.
What is the SMILES notation for 8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione?
The canonical SMILES for 8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione is Cn1c(=O)c2nc(-c3ccco3)n(C)c2n(C)c1=O.
What is the InChIKey of 8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione?
The InChIKey is XNFFNQCEFFSYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-14-9(7-5-4-6-19-7)13-8-10(14)15(2)12(18)16(3)11(8)17/h4-6H,1-3H3.
What are the key properties of 8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione?
8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione has a molecular weight of 260.25 g/mol, XLogP of 0.23, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-1,3,9-trimethylpurine-2,6-dione is sourced from PubChem (CID 102432253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).