1-(furan-3-yl)pyrimidine-2,4-dione

C8H6N2O3 — CID 142631125

IUPAC1-(furan-3-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(-c2ccoc2)c(=O)[nH]1
InChIInChI=1S/C8H6N2O3/c11-7-1-3-10(8(12)9-7)6-2-4-13-5-6/h1-5H,(H,9,11,12)
InChIKeyBEXNNWVMOBWFJL-UHFFFAOYSA-N
MW178.15 g/mol
LogP0.12
Rot. Bonds1

About 1-(furan-3-yl)pyrimidine-2,4-dione

1-(furan-3-yl)pyrimidine-2,4-dione (PubChem CID 142631125) has the molecular formula C8H6N2O3 and a molecular weight of 178.15 g/mol. Its IUPAC name is 1-(furan-3-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(furan-3-yl)pyrimidine-2,4-dione
PubChem CID142631125
Molecular FormulaC8H6N2O3
Molecular Weight178.15 g/mol
Exact Mass178.04
IUPAC Name1-(furan-3-yl)pyrimidine-2,4-dione
SMILESO=c1ccn(-c2ccoc2)c(=O)[nH]1
InChIInChI=1S/C8H6N2O3/c11-7-1-3-10(8(12)9-7)6-2-4-13-5-6/h1-5H,(H,9,11,12)
InChIKeyBEXNNWVMOBWFJL-UHFFFAOYSA-N
XLogP0.12
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.15
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Acetamidofuran
CID 521882
1-(Furan-3-yl)-4-(trifluoromethyl)pyrimidin-2-one
CID 178338463
3-Furylurea
CID 101076529
1-(Furan-3-yl)-5-(trifluoromethyl)-1,3-diazinane-2,4-dione
CID 23326919
3-(Furan-3-yl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 53990180
3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 54345271
5-fluoro-3-(furan-3-yl)-1H-pyrimidine-2,4-dione
CID 66697579
5-Fluoro-1-(furan-3-yl)pyrimidine-2,4-dione
CID 69626237
1-(Furan-3-yl)-2-sulfanylidene-5-(trifluoromethyl)-1,3-diazinan-4-one
CID 88654924
1-(furan-3-yl)-3-(trifluoromethyl)-2H-imidazole
CID 174593433
N-(furan-3-yl)pent-4-enamide
CID 11105709
1-(Furan-3-yl)pyridin-4-one
CID 19788565

Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)pyrimidine-2,4-dione?
The IUPAC name of 1-(furan-3-yl)pyrimidine-2,4-dione (CID 142631125) is 1-(furan-3-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-(furan-3-yl)pyrimidine-2,4-dione?
The canonical SMILES for 1-(furan-3-yl)pyrimidine-2,4-dione is O=c1ccn(-c2ccoc2)c(=O)[nH]1.
What is the InChIKey of 1-(furan-3-yl)pyrimidine-2,4-dione?
The InChIKey is BEXNNWVMOBWFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2O3/c11-7-1-3-10(8(12)9-7)6-2-4-13-5-6/h1-5H,(H,9,11,12).
What are the key properties of 1-(furan-3-yl)pyrimidine-2,4-dione?
1-(furan-3-yl)pyrimidine-2,4-dione has a molecular weight of 178.15 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 142631125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).