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

C19H13F3N2O4 — CID 146364745

IUPAC4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESCc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C19H13F3N2O4/c1-9-6-7-12(27-9)15-14-16(24-18(26)23-15)13(28-17(14)25)8-10-4-2-3-5-11(10)19(20,21)22/h2-7,13H,8H2,1H3,(H,23,24,26)
InChIKeyQIQBLZHYMGXZEN-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.81
Rot. Bonds3

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

4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 146364745) has the molecular formula C19H13F3N2O4 and a molecular weight of 390.32 g/mol. Its IUPAC name is 4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID146364745
Molecular FormulaC19H13F3N2O4
Molecular Weight390.32 g/mol
Exact Mass390.08
IUPAC Name4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESCc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1
InChIInChI=1S/C19H13F3N2O4/c1-9-6-7-12(27-9)15-14-16(24-18(26)23-15)13(28-17(14)25)8-10-4-2-3-5-11(10)19(20,21)22/h2-7,13H,8H2,1H3,(H,23,24,26)
InChIKeyQIQBLZHYMGXZEN-UHFFFAOYSA-N
XLogP3.81
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(2-Chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
CID 146364721
7-[(4-Chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
CID 146364737
3-Fluoro-4-[[4-(furan-2-yl)-2,5-dioxo-1,7-dihydrofuro[3,4-d]pyrimidin-7-yl]methyl]benzonitrile
CID 146364740
7-[(4-Chloro-3-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
CID 146364751
7-[(2-Chloro-6-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
CID 146364762
7-[(2,6-Difluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
CID 146364766
7-[(2-Fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
CID 146364773
7-[(5-Chloro-2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
CID 146364779
7-[(3-Chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
CID 146364852
7-[(2,4-Difluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
CID 146364854
4-(Furan-2-yl)-7-[[4-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
CID 146364860
7-[(3-Chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
CID 146364861

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (CID 146364745) is 4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is Cc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2ccccc2C(F)(F)F)o1.
What is the InChIKey of 4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is QIQBLZHYMGXZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3N2O4/c1-9-6-7-12(27-9)15-14-16(24-18(26)23-15)13(28-17(14)25)8-10-4-2-3-5-11(10)19(20,21)22/h2-7,13H,8H2,1H3,(H,23,24,26).
What are the key properties of 4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 390.32 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 146364745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).