7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one

C19H15N3O5 — CID 70346079

IUPAC7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one
SMILESCOc1cc(OC)nc(C2(O)OC(=O)c3c(-c4ccccc4)ccnc32)n1
InChIInChI=1S/C19H15N3O5/c1-25-13-10-14(26-2)22-18(21-13)19(24)16-15(17(23)27-19)12(8-9-20-16)11-6-4-3-5-7-11/h3-10,24H,1-2H3
InChIKeyUNMDWEKGASGTET-UHFFFAOYSA-N
MW365.35 g/mol
LogP1.92
Rot. Bonds4

About 7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one

7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one (PubChem CID 70346079) has the molecular formula C19H15N3O5 and a molecular weight of 365.35 g/mol. Its IUPAC name is 7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one
PubChem CID70346079
Molecular FormulaC19H15N3O5
Molecular Weight365.35 g/mol
Exact Mass365.10
IUPAC Name7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one
SMILESCOc1cc(OC)nc(C2(O)OC(=O)c3c(-c4ccccc4)ccnc32)n1
InChIInChI=1S/C19H15N3O5/c1-25-13-10-14(26-2)22-18(21-13)19(24)16-15(17(23)27-19)12(8-9-20-16)11-6-4-3-5-7-11/h3-10,24H,1-2H3
InChIKeyUNMDWEKGASGTET-UHFFFAOYSA-N
XLogP1.92
TPSA103.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one?
The IUPAC name of 7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one (CID 70346079) is 7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one.
What is the SMILES notation for 7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one?
The canonical SMILES for 7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one is COc1cc(OC)nc(C2(O)OC(=O)c3c(-c4ccccc4)ccnc32)n1.
What is the InChIKey of 7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one?
The InChIKey is UNMDWEKGASGTET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O5/c1-25-13-10-14(26-2)22-18(21-13)19(24)16-15(17(23)27-19)12(8-9-20-16)11-6-4-3-5-7-11/h3-10,24H,1-2H3.
What are the key properties of 7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one?
7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one has a molecular weight of 365.35 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,6-dimethoxypyrimidin-2-yl)-7-hydroxy-4-phenylfuro[3,4-b]pyridin-5-one is sourced from PubChem (CID 70346079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).