2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one

C9H8FN3O — CID 115019284

IUPAC2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cc(=O)n2c(F)cccc2n1
InChIInChI=1S/C9H8FN3O/c10-7-2-1-3-8-12-6(5-11)4-9(14)13(7)8/h1-4H,5,11H2
InChIKeyVMJYBNWHZPPYMY-UHFFFAOYSA-N
MW193.18 g/mol
LogP0.29
Rot. Bonds1

About 2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one

2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 115019284) has the molecular formula C9H8FN3O and a molecular weight of 193.18 g/mol. Its IUPAC name is 2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID115019284
Molecular FormulaC9H8FN3O
Molecular Weight193.18 g/mol
Exact Mass193.07
IUPAC Name2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one
SMILESNCc1cc(=O)n2c(F)cccc2n1
InChIInChI=1S/C9H8FN3O/c10-7-2-1-3-8-12-6(5-11)4-9(14)13(7)8/h1-4H,5,11H2
InChIKeyVMJYBNWHZPPYMY-UHFFFAOYSA-N
XLogP0.29
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.18
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one (CID 115019284) is 2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one is NCc1cc(=O)n2c(F)cccc2n1.
What is the InChIKey of 2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is VMJYBNWHZPPYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3O/c10-7-2-1-3-8-12-6(5-11)4-9(14)13(7)8/h1-4H,5,11H2.
What are the key properties of 2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one?
2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 193.18 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-6-fluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115019284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).