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

C12H13N3O — CID 60671689

IUPAC2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CC2)nc2ccccn12
InChIInChI=1S/C12H13N3O/c16-12-7-10(8-13-9-4-5-9)14-11-3-1-2-6-15(11)12/h1-3,6-7,9,13H,4-5,8H2
InChIKeyYBNXBDUJEICSCD-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.95
Rot. Bonds3

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

2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 60671689) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID60671689
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CNC2CC2)nc2ccccn12
InChIInChI=1S/C12H13N3O/c16-12-7-10(8-13-9-4-5-9)14-11-3-1-2-6-15(11)12/h1-3,6-7,9,13H,4-5,8H2
InChIKeyYBNXBDUJEICSCD-UHFFFAOYSA-N
XLogP0.95
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 60671689) is 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CNC2CC2)nc2ccccn12.
What is the InChIKey of 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YBNXBDUJEICSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c16-12-7-10(8-13-9-4-5-9)14-11-3-1-2-6-15(11)12/h1-3,6-7,9,13H,4-5,8H2.
What are the key properties of 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 215.26 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 60671689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).