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

C17H10ClFN2O4 — CID 146364861

IUPAC7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1OC(Cc2cccc(Cl)c2F)c2[nH]c(=O)nc(-c3ccco3)c21
InChIInChI=1S/C17H10ClFN2O4/c18-9-4-1-3-8(13(9)19)7-11-15-12(16(22)25-11)14(20-17(23)21-15)10-5-2-6-24-10/h1-6,11H,7H2,(H,20,21,23)
InChIKeyOBNATXJTAGRMHA-UHFFFAOYSA-N
MW360.73 g/mol
LogP3.28
Rot. Bonds3

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

7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (PubChem CID 146364861) has the molecular formula C17H10ClFN2O4 and a molecular weight of 360.73 g/mol. Its IUPAC name is 7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
PubChem CID146364861
Molecular FormulaC17H10ClFN2O4
Molecular Weight360.73 g/mol
Exact Mass360.03
IUPAC Name7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione
SMILESO=C1OC(Cc2cccc(Cl)c2F)c2[nH]c(=O)nc(-c3ccco3)c21
InChIInChI=1S/C17H10ClFN2O4/c18-9-4-1-3-8(13(9)19)7-11-15-12(16(22)25-11)14(20-17(23)21-15)10-5-2-6-24-10/h1-6,11H,7H2,(H,20,21,23)
InChIKeyOBNATXJTAGRMHA-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-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The IUPAC name of 7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione (CID 146364861) is 7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione.
What is the SMILES notation for 7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The canonical SMILES for 7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is O=C1OC(Cc2cccc(Cl)c2F)c2[nH]c(=O)nc(-c3ccco3)c21.
What is the InChIKey of 7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
The InChIKey is OBNATXJTAGRMHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN2O4/c18-9-4-1-3-8(13(9)19)7-11-15-12(16(22)25-11)14(20-17(23)21-15)10-5-2-6-24-10/h1-6,11H,7H2,(H,20,21,23).
What are the key properties of 7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione?
7-[(3-chloro-2-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-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-1,7-dihydrofuro[3,4-d]pyrimidine-2,5-dione is sourced from PubChem (CID 146364861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).