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

C18H13FN2O4 — CID 146364773

IUPAC7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESCc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2ccccc2F)o1
InChIInChI=1S/C18H13FN2O4/c1-9-6-7-12(24-9)15-14-16(21-18(23)20-15)13(25-17(14)22)8-10-4-2-3-5-11(10)19/h2-7,13H,8H2,1H3,(H,20,21,23)
InChIKeyZFUKCZGGSUZAQM-UHFFFAOYSA-N
MW340.31 g/mol
LogP2.93
Rot. Bonds3

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

7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 146364773) has the molecular formula C18H13FN2O4 and a molecular weight of 340.31 g/mol. Its IUPAC name is 7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID146364773
Molecular FormulaC18H13FN2O4
Molecular Weight340.31 g/mol
Exact Mass340.09
IUPAC Name7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESCc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2ccccc2F)o1
InChIInChI=1S/C18H13FN2O4/c1-9-6-7-12(24-9)15-14-16(21-18(23)20-15)13(25-17(14)22)8-10-4-2-3-5-11(10)19/h2-7,13H,8H2,1H3,(H,20,21,23)
InChIKeyZFUKCZGGSUZAQM-UHFFFAOYSA-N
XLogP2.93
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (CID 146364773) is 7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is Cc1ccc(-c2nc(=O)[nH]c3c2C(=O)OC3Cc2ccccc2F)o1.
What is the InChIKey of 7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is ZFUKCZGGSUZAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O4/c1-9-6-7-12(24-9)15-14-16(21-18(23)20-15)13(25-17(14)22)8-10-4-2-3-5-11(10)19/h2-7,13H,8H2,1H3,(H,20,21,23).
What are the key properties of 7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 340.31 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-fluorophenyl)methyl]-4-(5-methylfuran-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 146364773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).