2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one

C15H19FN4O — CID 154932726

IUPAC2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2cc(NC3(NC)CCC3)cc(F)c2n1
InChIInChI=1S/C15H19FN4O/c1-3-10-8-13(21)20-9-11(7-12(16)14(20)18-10)19-15(17-2)5-4-6-15/h7-9,17,19H,3-6H2,1-2H3
InChIKeyKBUSDUUKCGSCPW-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.91
Rot. Bonds4

About 2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one

2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 154932726) has the molecular formula C15H19FN4O and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID154932726
Molecular FormulaC15H19FN4O
Molecular Weight290.34 g/mol
Exact Mass290.15
IUPAC Name2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one
SMILESCCc1cc(=O)n2cc(NC3(NC)CCC3)cc(F)c2n1
InChIInChI=1S/C15H19FN4O/c1-3-10-8-13(21)20-9-11(7-12(16)14(20)18-10)19-15(17-2)5-4-6-15/h7-9,17,19H,3-6H2,1-2H3
InChIKeyKBUSDUUKCGSCPW-UHFFFAOYSA-N
XLogP1.91
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one (CID 154932726) is 2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one is CCc1cc(=O)n2cc(NC3(NC)CCC3)cc(F)c2n1.
What is the InChIKey of 2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is KBUSDUUKCGSCPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O/c1-3-10-8-13(21)20-9-11(7-12(16)14(20)18-10)19-15(17-2)5-4-6-15/h7-9,17,19H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one?
2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 290.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-9-fluoro-7-[[1-(methylamino)cyclobutyl]amino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 154932726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).