2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one

C17H9Cl2FN2O3 — CID 146364713

IUPAC2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESO=C1OC(Cc2ccc(F)c(Cl)c2)c2nc(Cl)nc(-c3ccco3)c21
InChIInChI=1S/C17H9Cl2FN2O3/c18-9-6-8(3-4-10(9)20)7-12-15-13(16(23)25-12)14(21-17(19)22-15)11-2-1-5-24-11/h1-6,12H,7H2
InChIKeyRMRBPEOKYFIILJ-UHFFFAOYSA-N
MW379.17 g/mol
LogP4.64
Rot. Bonds3

About 2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one

2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146364713) has the molecular formula C17H9Cl2FN2O3 and a molecular weight of 379.17 g/mol. Its IUPAC name is 2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146364713
Molecular FormulaC17H9Cl2FN2O3
Molecular Weight379.17 g/mol
Exact Mass378.00
IUPAC Name2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESO=C1OC(Cc2ccc(F)c(Cl)c2)c2nc(Cl)nc(-c3ccco3)c21
InChIInChI=1S/C17H9Cl2FN2O3/c18-9-6-8(3-4-10(9)20)7-12-15-13(16(23)25-12)14(21-17(19)22-15)11-2-1-5-24-11/h1-6,12H,7H2
InChIKeyRMRBPEOKYFIILJ-UHFFFAOYSA-N
XLogP4.64
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.17
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (CID 146364713) is 2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is O=C1OC(Cc2ccc(F)c(Cl)c2)c2nc(Cl)nc(-c3ccco3)c21.
What is the InChIKey of 2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is RMRBPEOKYFIILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2FN2O3/c18-9-6-8(3-4-10(9)20)7-12-15-13(16(23)25-12)14(21-17(19)22-15)11-2-1-5-24-11/h1-6,12H,7H2.
What are the key properties of 2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 379.17 g/mol, XLogP of 4.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[(3-chloro-4-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146364713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).