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

C17H9ClF2N2O3 — CID 146364707

IUPAC2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESO=C1OC(Cc2ccc(F)cc2F)c2nc(Cl)nc(-c3ccco3)c21
InChIInChI=1S/C17H9ClF2N2O3/c18-17-21-14(11-2-1-5-24-11)13-15(22-17)12(25-16(13)23)6-8-3-4-9(19)7-10(8)20/h1-5,7,12H,6H2
InChIKeyAWBUEGSFZYDNQG-UHFFFAOYSA-N
MW362.72 g/mol
LogP4.12
Rot. Bonds3

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

2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146364707) has the molecular formula C17H9ClF2N2O3 and a molecular weight of 362.72 g/mol. Its IUPAC name is 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146364707
Molecular FormulaC17H9ClF2N2O3
Molecular Weight362.72 g/mol
Exact Mass362.03
IUPAC Name2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESO=C1OC(Cc2ccc(F)cc2F)c2nc(Cl)nc(-c3ccco3)c21
InChIInChI=1S/C17H9ClF2N2O3/c18-17-21-14(11-2-1-5-24-11)13-15(22-17)12(25-16(13)23)6-8-3-4-9(19)7-10(8)20/h1-5,7,12H,6H2
InChIKeyAWBUEGSFZYDNQG-UHFFFAOYSA-N
XLogP4.12
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.72
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (CID 146364707) is 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is O=C1OC(Cc2ccc(F)cc2F)c2nc(Cl)nc(-c3ccco3)c21.
What is the InChIKey of 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is AWBUEGSFZYDNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF2N2O3/c18-17-21-14(11-2-1-5-24-11)13-15(22-17)12(25-16(13)23)6-8-3-4-9(19)7-10(8)20/h1-5,7,12H,6H2.
What are the key properties of 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 362.72 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-7-[(2,4-difluorophenyl)methyl]-4-(furan-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146364707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).