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

C19H14ClFN2O4 — CID 146364776

IUPAC7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESCOc1nc(-c2ccc(C)o2)c2c(n1)C(Cc1cc(Cl)ccc1F)OC2=O
InChIInChI=1S/C19H14ClFN2O4/c1-9-3-6-13(26-9)16-15-17(23-19(22-16)25-2)14(27-18(15)24)8-10-7-11(20)4-5-12(10)21/h3-7,14H,8H2,1-2H3
InChIKeyOJQCZGFKMPOFKV-UHFFFAOYSA-N
MW388.78 g/mol
LogP4.30
Rot. Bonds4

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

7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (PubChem CID 146364776) has the molecular formula C19H14ClFN2O4 and a molecular weight of 388.78 g/mol. Its IUPAC name is 7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.

Molecular Properties

Compound Name7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
PubChem CID146364776
Molecular FormulaC19H14ClFN2O4
Molecular Weight388.78 g/mol
Exact Mass388.06
IUPAC Name7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one
SMILESCOc1nc(-c2ccc(C)o2)c2c(n1)C(Cc1cc(Cl)ccc1F)OC2=O
InChIInChI=1S/C19H14ClFN2O4/c1-9-3-6-13(26-9)16-15-17(23-19(22-16)25-2)14(27-18(15)24)8-10-7-11(20)4-5-12(10)21/h3-7,14H,8H2,1-2H3
InChIKeyOJQCZGFKMPOFKV-UHFFFAOYSA-N
XLogP4.30
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.78
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The IUPAC name of 7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one (CID 146364776) is 7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one.
What is the SMILES notation for 7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The canonical SMILES for 7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is COc1nc(-c2ccc(C)o2)c2c(n1)C(Cc1cc(Cl)ccc1F)OC2=O.
What is the InChIKey of 7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
The InChIKey is OJQCZGFKMPOFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O4/c1-9-3-6-13(26-9)16-15-17(23-19(22-16)25-2)14(27-18(15)24)8-10-7-11(20)4-5-12(10)21/h3-7,14H,8H2,1-2H3.
What are the key properties of 7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one?
7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one has a molecular weight of 388.78 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chloro-2-fluorophenyl)methyl]-2-methoxy-4-(5-methylfuran-2-yl)-7H-furo[3,4-d]pyrimidin-5-one is sourced from PubChem (CID 146364776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).