9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one

C15H12FN3O — CID 90666161

IUPAC9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESNc1cccn2cc(Cc3ccc(F)cc3)c(=O)nc12
InChIInChI=1S/C15H12FN3O/c16-12-5-3-10(4-6-12)8-11-9-19-7-1-2-13(17)14(19)18-15(11)20/h1-7,9H,8,17H2
InChIKeyMCYIXVBJKSYFIU-UHFFFAOYSA-N
MW269.28 g/mol
LogP2.01
Rot. Bonds2

About 9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one

9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (PubChem CID 90666161) has the molecular formula C15H12FN3O and a molecular weight of 269.28 g/mol. Its IUPAC name is 9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.

Molecular Properties

Compound Name9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
PubChem CID90666161
Molecular FormulaC15H12FN3O
Molecular Weight269.28 g/mol
Exact Mass269.10
IUPAC Name9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one
SMILESNc1cccn2cc(Cc3ccc(F)cc3)c(=O)nc12
InChIInChI=1S/C15H12FN3O/c16-12-5-3-10(4-6-12)8-11-9-19-7-1-2-13(17)14(19)18-15(11)20/h1-7,9H,8,17H2
InChIKeyMCYIXVBJKSYFIU-UHFFFAOYSA-N
XLogP2.01
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The IUPAC name of 9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one (CID 90666161) is 9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one.
What is the SMILES notation for 9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The canonical SMILES for 9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is Nc1cccn2cc(Cc3ccc(F)cc3)c(=O)nc12.
What is the InChIKey of 9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
The InChIKey is MCYIXVBJKSYFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3O/c16-12-5-3-10(4-6-12)8-11-9-19-7-1-2-13(17)14(19)18-15(11)20/h1-7,9H,8,17H2.
What are the key properties of 9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one?
9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one has a molecular weight of 269.28 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-3-[(4-fluorophenyl)methyl]pyrido[1,2-a]pyrimidin-2-one is sourced from PubChem (CID 90666161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).