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

C17H10ClFN2O4 — CID 146364721

IUPAC7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1OC(Cc2ccc(F)cc2Cl)c2[nH]c(=O)nc(-c3ccco3)c21
InChIInChI=1S/C17H10ClFN2O4/c18-10-7-9(19)4-3-8(10)6-12-15-13(16(22)25-12)14(20-17(23)21-15)11-2-1-5-24-11/h1-5,7,12H,6H2,(H,20,21,23)
InChIKeyFGAHLBRMTKJQAF-UHFFFAOYSA-N
MW360.73 g/mol
LogP3.28
Rot. Bonds3

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

7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 146364721) has the molecular formula C17H10ClFN2O4 and a molecular weight of 360.73 g/mol. Its IUPAC name is 7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID146364721
Molecular FormulaC17H10ClFN2O4
Molecular Weight360.73 g/mol
Exact Mass360.03
IUPAC Name7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1OC(Cc2ccc(F)cc2Cl)c2[nH]c(=O)nc(-c3ccco3)c21
InChIInChI=1S/C17H10ClFN2O4/c18-10-7-9(19)4-3-8(10)6-12-15-13(16(22)25-12)14(20-17(23)21-15)11-2-1-5-24-11/h1-5,7,12H,6H2,(H,20,21,23)
InChIKeyFGAHLBRMTKJQAF-UHFFFAOYSA-N
XLogP3.28
TPSA85.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.73
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (CID 146364721) is 7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is O=C1OC(Cc2ccc(F)cc2Cl)c2[nH]c(=O)nc(-c3ccco3)c21.
What is the InChIKey of 7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is FGAHLBRMTKJQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2O4/c18-10-7-9(19)4-3-8(10)6-12-15-13(16(22)25-12)14(20-17(23)21-15)11-2-1-5-24-11/h1-5,7,12H,6H2,(H,20,21,23).
What are the key properties of 7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione has a molecular weight of 360.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 146364721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).