8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione

C10H8N4O3 — CID 112569089

IUPAC8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccco3)nc21
InChIInChI=1S/C10H8N4O3/c1-14-8-6(9(15)13-10(14)16)11-7(12-8)5-3-2-4-17-5/h2-4H,1H3,(H,11,12)(H,13,15,16)
InChIKeyUVGJJCJWCVCATG-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.21
Rot. Bonds1

About 8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione

8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione (PubChem CID 112569089) has the molecular formula C10H8N4O3 and a molecular weight of 232.20 g/mol. Its IUPAC name is 8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione.

Molecular Properties

Compound Name8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione
PubChem CID112569089
Molecular FormulaC10H8N4O3
Molecular Weight232.20 g/mol
Exact Mass232.06
IUPAC Name8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione
SMILESCn1c(=O)[nH]c(=O)c2[nH]c(-c3ccco3)nc21
InChIInChI=1S/C10H8N4O3/c1-14-8-6(9(15)13-10(14)16)11-7(12-8)5-3-2-4-17-5/h2-4H,1H3,(H,11,12)(H,13,15,16)
InChIKeyUVGJJCJWCVCATG-UHFFFAOYSA-N
XLogP0.21
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(3-chlorophenyl)-3-methyl-7H-purine-2,6-dione
CID 112688099
8-(2-methoxy-3-pyridinyl)-3-methyl-7H-purine-2,6-dione
CID 115925725
8-(4-chloro-3-methylphenyl)-3-methyl-7H-purine-2,6-dione
CID 103975199
3-methyl-8-methylsulfanyl-7H-purine-2,6-dione
CID 130009999
8-(3-chloro-4-iodophenyl)-3-methyl-7H-purine-2,6-dione
CID 103222502
8-(3-bromo-4-chlorophenyl)-3-methyl-7H-purine-2,6-dione
CID 103917937
8-(2,5-dichlorothiophen-3-yl)-3-methyl-7H-purine-2,6-dione
CID 107963375
3-methyl-8-(1,3,5-trimethylpyrazol-4-yl)-7H-purine-2,6-dione
CID 115925707
3-methyl-8-[(3-methyl-2,6-dioxo-7H-purin-8-yl)sulfanyl]-7H-purine-2,6-dione
CID 3103863
8-(4-fluoro-3-methoxyphenyl)-3-methyl-7H-purine-2,6-dione
CID 115765308
3-methyl-8-(2-phenylethyl)-7H-purine-2,6-dione
CID 115925676
2-(furan-2-yl)-7,8-dimethoxy-3,5-dihydropyrimido[5,4-b]indol-4-one
CID 135511118

Frequently Asked Questions

What is the IUPAC name of 8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione?
The IUPAC name of 8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione (CID 112569089) is 8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione.
What is the SMILES notation for 8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione?
The canonical SMILES for 8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione is Cn1c(=O)[nH]c(=O)c2[nH]c(-c3ccco3)nc21.
What is the InChIKey of 8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione?
The InChIKey is UVGJJCJWCVCATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O3/c1-14-8-6(9(15)13-10(14)16)11-7(12-8)5-3-2-4-17-5/h2-4H,1H3,(H,11,12)(H,13,15,16).
What are the key properties of 8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione?
8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione has a molecular weight of 232.20 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-2-yl)-3-methyl-7H-purine-2,6-dione is sourced from PubChem (CID 112569089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).