2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

C11H11F2N3O — CID 115406622

IUPAC2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC(F)F)nc2ccccn12
InChIInChI=1S/C11H11F2N3O/c12-9(13)7-14-6-8-5-11(17)16-4-2-1-3-10(16)15-8/h1-5,9,14H,6-7H2
InChIKeyUEBDNHZYILNWNF-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.05
Rot. Bonds4

About 2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one

2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 115406622) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID115406622
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNCC(F)F)nc2ccccn12
InChIInChI=1S/C11H11F2N3O/c12-9(13)7-14-6-8-5-11(17)16-4-2-1-3-10(16)15-8/h1-5,9,14H,6-7H2
InChIKeyUEBDNHZYILNWNF-UHFFFAOYSA-N
XLogP1.05
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 115406622) is 2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNCC(F)F)nc2ccccn12.
What is the InChIKey of 2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UEBDNHZYILNWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c12-9(13)7-14-6-8-5-11(17)16-4-2-1-3-10(16)15-8/h1-5,9,14H,6-7H2.
What are the key properties of 2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 239.23 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoroethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 115406622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).