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

C18H11F3N2O4 — CID 146364860

IUPAC4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1OC(Cc2ccc(C(F)(F)F)cc2)c2[nH]c(=O)nc(-c3ccco3)c21
InChIInChI=1S/C18H11F3N2O4/c19-18(20,21)10-5-3-9(4-6-10)8-12-15-13(16(24)27-12)14(22-17(25)23-15)11-2-1-7-26-11/h1-7,12H,8H2,(H,22,23,25)
InChIKeyRJLQGDQDWVQKGM-UHFFFAOYSA-N
MW376.29 g/mol
LogP3.50
Rot. Bonds3

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

4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 146364860) has the molecular formula C18H11F3N2O4 and a molecular weight of 376.29 g/mol. Its IUPAC name is 4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID146364860
Molecular FormulaC18H11F3N2O4
Molecular Weight376.29 g/mol
Exact Mass376.07
IUPAC Name4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1OC(Cc2ccc(C(F)(F)F)cc2)c2[nH]c(=O)nc(-c3ccco3)c21
InChIInChI=1S/C18H11F3N2O4/c19-18(20,21)10-5-3-9(4-6-10)8-12-15-13(16(24)27-12)14(22-17(25)23-15)11-2-1-7-26-11/h1-7,12H,8H2,(H,22,23,25)
InChIKeyRJLQGDQDWVQKGM-UHFFFAOYSA-N
XLogP3.50
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (CID 146364860) is 4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is O=C1OC(Cc2ccc(C(F)(F)F)cc2)c2[nH]c(=O)nc(-c3ccco3)c21.
What is the InChIKey of 4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is RJLQGDQDWVQKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N2O4/c19-18(20,21)10-5-3-9(4-6-10)8-12-15-13(16(24)27-12)14(22-17(25)23-15)11-2-1-7-26-11/h1-7,12H,8H2,(H,22,23,25).
What are the key properties of 4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 376.29 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 146364860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).