2-methoxypyrido[1,2-a]pyrimidin-4-one

C9H8N2O2 — CID 638805

IUPAC2-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(=O)n2ccccc2n1
InChIInChI=1S/C9H8N2O2/c1-13-8-6-9(12)11-5-3-2-4-7(11)10-8/h2-6H,1H3
InChIKeyREYWOJIRXDUXAO-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.70
Rot. Bonds1

About 2-methoxypyrido[1,2-a]pyrimidin-4-one

2-methoxypyrido[1,2-a]pyrimidin-4-one (PubChem CID 638805) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 2-methoxypyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-methoxypyrido[1,2-a]pyrimidin-4-one
PubChem CID638805
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name2-methoxypyrido[1,2-a]pyrimidin-4-one
SMILESCOc1cc(=O)n2ccccc2n1
InChIInChI=1S/C9H8N2O2/c1-13-8-6-9(12)11-5-3-2-4-7(11)10-8/h2-6H,1H3
InChIKeyREYWOJIRXDUXAO-UHFFFAOYSA-N
XLogP0.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-methoxypyrido[1,2-a]pyrimidin-4-one (CID 638805) is 2-methoxypyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-methoxypyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-methoxypyrido[1,2-a]pyrimidin-4-one is COc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-methoxypyrido[1,2-a]pyrimidin-4-one?
The InChIKey is REYWOJIRXDUXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-13-8-6-9(12)11-5-3-2-4-7(11)10-8/h2-6H,1H3.
What are the key properties of 2-methoxypyrido[1,2-a]pyrimidin-4-one?
2-methoxypyrido[1,2-a]pyrimidin-4-one has a molecular weight of 176.17 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 638805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).