4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione

C18H11F3N2O5 — CID 146364878

IUPAC4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1OC(Cc2ccccc2OC(F)(F)F)c2[nH]c(=O)nc(-c3ccco3)c21
InChIInChI=1S/C18H11F3N2O5/c19-18(20,21)28-10-5-2-1-4-9(10)8-12-15-13(16(24)27-12)14(22-17(25)23-15)11-6-3-7-26-11/h1-7,12H,8H2,(H,22,23,25)
InChIKeyWJVXARRJLNQUQN-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.38
Rot. Bonds4

About 4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione

4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 146364878) has the molecular formula C18H11F3N2O5 and a molecular weight of 392.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID146364878
Molecular FormulaC18H11F3N2O5
Molecular Weight392.29 g/mol
Exact Mass392.06
IUPAC Name4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1OC(Cc2ccccc2OC(F)(F)F)c2[nH]c(=O)nc(-c3ccco3)c21
InChIInChI=1S/C18H11F3N2O5/c19-18(20,21)28-10-5-2-1-4-9(10)8-12-15-13(16(24)27-12)14(22-17(25)23-15)11-6-3-7-26-11/h1-7,12H,8H2,(H,22,23,25)
InChIKeyWJVXARRJLNQUQN-UHFFFAOYSA-N
XLogP3.38
TPSA94.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (CID 146364878) is 4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is O=C1OC(Cc2ccccc2OC(F)(F)F)c2[nH]c(=O)nc(-c3ccco3)c21.
What is the InChIKey of 4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is WJVXARRJLNQUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O5/c19-18(20,21)28-10-5-2-1-4-9(10)8-12-15-13(16(24)27-12)14(22-17(25)23-15)11-6-3-7-26-11/h1-7,12H,8H2,(H,22,23,25).
What are the key properties of 4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 392.29 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-7-[[2-(trifluoromethoxy)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 146364878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).