3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

C9H5F3N2O3 — CID 54345271

IUPAC3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1-c1ccoc1
InChIInChI=1S/C9H5F3N2O3/c10-9(11,12)6-3-7(15)14(8(16)13-6)5-1-2-17-4-5/h1-4H,(H,13,16)
InChIKeyUBWPNRHYXMGZHA-UHFFFAOYSA-N
MW246.14 g/mol
LogP1.14
Rot. Bonds1

About 3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione

3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (PubChem CID 54345271) has the molecular formula C9H5F3N2O3 and a molecular weight of 246.14 g/mol. Its IUPAC name is 3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
PubChem CID54345271
Molecular FormulaC9H5F3N2O3
Molecular Weight246.14 g/mol
Exact Mass246.03
IUPAC Name3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]c(=O)n1-c1ccoc1
InChIInChI=1S/C9H5F3N2O3/c10-9(11,12)6-3-7(15)14(8(16)13-6)5-1-2-17-4-5/h1-4H,(H,13,16)
InChIKeyUBWPNRHYXMGZHA-UHFFFAOYSA-N
XLogP1.14
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.14
LogP ≤ 51.14
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
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-(Diaminomethylidene)-3-(furan-3-yl)urea
CID 20250249
N-(Furan-3-yl)-2-methylpropanamide
CID 23341629

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione (CID 54345271) is 3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1ccoc1.
What is the InChIKey of 3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is UBWPNRHYXMGZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O3/c10-9(11,12)6-3-7(15)14(8(16)13-6)5-1-2-17-4-5/h1-4H,(H,13,16).
What are the key properties of 3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione?
3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 246.14 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-yl)-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 54345271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).