8,9-dihydropyrido[1,2-a]pyrimidin-4-one

C8H8N2O — CID 164773450

IUPAC8,9-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2n1C=CCC2
InChIInChI=1S/C8H8N2O/c11-8-4-5-9-7-3-1-2-6-10(7)8/h2,4-6H,1,3H2
InChIKeyDBQLLRGEJOTREB-UHFFFAOYSA-N
MW148.16 g/mol
LogP0.66
Rot. Bonds

About 8,9-dihydropyrido[1,2-a]pyrimidin-4-one

8,9-dihydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 164773450) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 8,9-dihydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name8,9-dihydropyrido[1,2-a]pyrimidin-4-one
PubChem CID164773450
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name8,9-dihydropyrido[1,2-a]pyrimidin-4-one
SMILESO=c1ccnc2n1C=CCC2
InChIInChI=1S/C8H8N2O/c11-8-4-5-9-7-3-1-2-6-10(7)8/h2,4-6H,1,3H2
InChIKeyDBQLLRGEJOTREB-UHFFFAOYSA-N
XLogP0.66
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8,9-dihydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 8,9-dihydropyrido[1,2-a]pyrimidin-4-one (CID 164773450) is 8,9-dihydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 8,9-dihydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 8,9-dihydropyrido[1,2-a]pyrimidin-4-one is O=c1ccnc2n1C=CCC2.
What is the InChIKey of 8,9-dihydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is DBQLLRGEJOTREB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c11-8-4-5-9-7-3-1-2-6-10(7)8/h2,4-6H,1,3H2.
What are the key properties of 8,9-dihydropyrido[1,2-a]pyrimidin-4-one?
8,9-dihydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 148.16 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dihydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 164773450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).