2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

C13H13N5O2 — CID 106397963

IUPAC2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc(CNCc2cc(=O)n3ccccc3n2)no1
InChIInChI=1S/C13H13N5O2/c1-9-15-11(17-20-9)8-14-7-10-6-13(19)18-5-3-2-4-12(18)16-10/h2-6,14H,7-8H2,1H3
InChIKeyCRULAZGLGVPAGC-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.68
Rot. Bonds4

About 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 106397963) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID106397963
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc(CNCc2cc(=O)n3ccccc3n2)no1
InChIInChI=1S/C13H13N5O2/c1-9-15-11(17-20-9)8-14-7-10-6-13(19)18-5-3-2-4-12(18)16-10/h2-6,14H,7-8H2,1H3
InChIKeyCRULAZGLGVPAGC-UHFFFAOYSA-N
XLogP0.68
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 106397963) is 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1nc(CNCc2cc(=O)n3ccccc3n2)no1.
What is the InChIKey of 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CRULAZGLGVPAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-9-15-11(17-20-9)8-14-7-10-6-13(19)18-5-3-2-4-12(18)16-10/h2-6,14H,7-8H2,1H3.
What are the key properties of 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 271.28 g/mol, XLogP of 0.68, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 106397963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).