6-(furan-2-yl)-1-propylpyrimidine-2,4-dione

C11H12N2O3 — CID 121206638

IUPAC6-(furan-2-yl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(-c2ccco2)cc(=O)[nH]c1=O
InChIInChI=1S/C11H12N2O3/c1-2-5-13-8(9-4-3-6-16-9)7-10(14)12-11(13)15/h3-4,6-7H,2,5H2,1H3,(H,12,14,15)
InChIKeyWPSADGDIOJBGPT-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.21
Rot. Bonds3

About 6-(furan-2-yl)-1-propylpyrimidine-2,4-dione

6-(furan-2-yl)-1-propylpyrimidine-2,4-dione (PubChem CID 121206638) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 6-(furan-2-yl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(furan-2-yl)-1-propylpyrimidine-2,4-dione
PubChem CID121206638
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name6-(furan-2-yl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(-c2ccco2)cc(=O)[nH]c1=O
InChIInChI=1S/C11H12N2O3/c1-2-5-13-8(9-4-3-6-16-9)7-10(14)12-11(13)15/h3-4,6-7H,2,5H2,1H3,(H,12,14,15)
InChIKeyWPSADGDIOJBGPT-UHFFFAOYSA-N
XLogP1.21
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-(furan-2-yl)-1-propylpyrimidine-2,4-dione (CID 121206638) is 6-(furan-2-yl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(furan-2-yl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-(furan-2-yl)-1-propylpyrimidine-2,4-dione is CCCn1c(-c2ccco2)cc(=O)[nH]c1=O.
What is the InChIKey of 6-(furan-2-yl)-1-propylpyrimidine-2,4-dione?
The InChIKey is WPSADGDIOJBGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-2-5-13-8(9-4-3-6-16-9)7-10(14)12-11(13)15/h3-4,6-7H,2,5H2,1H3,(H,12,14,15).
What are the key properties of 6-(furan-2-yl)-1-propylpyrimidine-2,4-dione?
6-(furan-2-yl)-1-propylpyrimidine-2,4-dione has a molecular weight of 220.23 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 121206638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).