1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione

C12H14N2O4 — CID 112599751

IUPAC1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(C(C)Cc2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N2O4/c1-7(6-9-4-3-5-18-9)14-11(16)8(2)10(15)13-12(14)17/h3-5,7,16H,6H2,1-2H3,(H,13,15,17)
InChIKeyZARVSZYLNHZXIH-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.95
Rot. Bonds3

About 1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione

1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione (PubChem CID 112599751) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione
PubChem CID112599751
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione
SMILESCc1c(O)n(C(C)Cc2ccco2)c(=O)[nH]c1=O
InChIInChI=1S/C12H14N2O4/c1-7(6-9-4-3-5-18-9)14-11(16)8(2)10(15)13-12(14)17/h3-5,7,16H,6H2,1-2H3,(H,13,15,17)
InChIKeyZARVSZYLNHZXIH-UHFFFAOYSA-N
XLogP0.95
TPSA88.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[1-(furan-2-yl)propan-2-yl]piperazine-2,6-dione
CID 63789266
5-ethyl-6-hydroxy-1-[1-(5-methylthiophen-2-yl)propan-2-yl]pyrimidine-2,4-dione
CID 115948535
3-[1-(furan-2-yl)propan-2-yl]-4-methyl-1H-benzimidazole-2-thione
CID 115551754
2-chloro-1-[1-[1-(furan-2-yl)propan-2-yl]-2,5-dimethylpyrrol-3-yl]ethanone
CID 61472311
3-[1-(furan-2-yl)propan-2-yl]-5-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 81138432
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
3-amino-2-[1-(furan-2-yl)propan-2-yl]isoquinolin-1-one
CID 61472681
4-[1-(furan-2-yl)propan-2-yl]-1H-1,2,4-triazole-5-thione
CID 61472377
5-chloro-3-[1-(furan-2-yl)propan-2-yl]-1H-benzimidazole-2-thione
CID 115469957
2-(2-methylpropyl)furan;propanoic acid
CID 158583493
5,7-difluoro-3-[1-(furan-2-yl)propan-2-yl]-1H-benzimidazole-2-thione
CID 115508228
5-(ethyliminomethyl)-1-(furan-2-ylmethyl)-6-hydroxypyrimidine-2,4-dione
CID 137144670

Frequently Asked Questions

What is the IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione (CID 112599751) is 1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione is Cc1c(O)n(C(C)Cc2ccco2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
The InChIKey is ZARVSZYLNHZXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-7(6-9-4-3-5-18-9)14-11(16)8(2)10(15)13-12(14)17/h3-5,7,16H,6H2,1-2H3,(H,13,15,17).
What are the key properties of 1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione?
1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione has a molecular weight of 250.25 g/mol, XLogP of 0.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(furan-2-yl)propan-2-yl]-6-hydroxy-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 112599751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).