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

C17H9Cl2FN2O3 — CID 146364849

IUPAC2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESO=C1OC(Cc2cccc(Cl)c2F)c2nc(Cl)nc(-c3ccco3)c21
InChIInChI=1S/C17H9Cl2FN2O3/c18-9-4-1-3-8(13(9)20)7-11-15-12(16(23)25-11)14(21-17(19)22-15)10-5-2-6-24-10/h1-6,11H,7H2
InChIKeyULPPNYBXEQUYGD-UHFFFAOYSA-N
MW379.17 g/mol
LogP4.64
Rot. Bonds3

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

2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146364849) has the molecular formula C17H9Cl2FN2O3 and a molecular weight of 379.17 g/mol. Its IUPAC name is 2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146364849
Molecular FormulaC17H9Cl2FN2O3
Molecular Weight379.17 g/mol
Exact Mass378.00
IUPAC Name2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESO=C1OC(Cc2cccc(Cl)c2F)c2nc(Cl)nc(-c3ccco3)c21
InChIInChI=1S/C17H9Cl2FN2O3/c18-9-4-1-3-8(13(9)20)7-11-15-12(16(23)25-11)14(21-17(19)22-15)10-5-2-6-24-10/h1-6,11H,7H2
InChIKeyULPPNYBXEQUYGD-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-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (CID 146364849) is 2-chloro-7-[(3-chloro-2-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-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is O=C1OC(Cc2cccc(Cl)c2F)c2nc(Cl)nc(-c3ccco3)c21.
What is the InChIKey of 2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is ULPPNYBXEQUYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl2FN2O3/c18-9-4-1-3-8(13(9)20)7-11-15-12(16(23)25-11)14(21-17(19)22-15)10-5-2-6-24-10/h1-6,11H,7H2.
What are the key properties of 2-chloro-7-[(3-chloro-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
2-chloro-7-[(3-chloro-2-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-2-fluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146364849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).