2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one

C12H11N3O2 — CID 12903734

IUPAC2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCN1C(=O)c2cccnc2NC1c1ccco1
InChIInChI=1S/C12H11N3O2/c1-15-11(9-5-3-7-17-9)14-10-8(12(15)16)4-2-6-13-10/h2-7,11H,1H3,(H,13,14)
InChIKeyOYQGDMGPPDCNJG-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.87
Rot. Bonds1

About 2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one

2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 12903734) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one
PubChem CID12903734
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCN1C(=O)c2cccnc2NC1c1ccco1
InChIInChI=1S/C12H11N3O2/c1-15-11(9-5-3-7-17-9)14-10-8(12(15)16)4-2-6-13-10/h2-7,11H,1H3,(H,13,14)
InChIKeyOYQGDMGPPDCNJG-UHFFFAOYSA-N
XLogP1.87
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one (CID 12903734) is 2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one is CN1C(=O)c2cccnc2NC1c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OYQGDMGPPDCNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-15-11(9-5-3-7-17-9)14-10-8(12(15)16)4-2-6-13-10/h2-7,11H,1H3,(H,13,14).
What are the key properties of 2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one?
2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 229.24 g/mol, XLogP of 1.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-3-methyl-1,2-dihydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 12903734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).