2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

C16H19N5O2 — CID 91843558

IUPAC2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1cc(=O)n2c(C)cccc2n1)Cc1nc(C)no1
InChIInChI=1S/C16H19N5O2/c1-4-20(10-15-17-12(3)19-23-15)9-13-8-16(22)21-11(2)6-5-7-14(21)18-13/h5-8H,4,9-10H2,1-3H3
InChIKeyCBEIPIHADJEQMV-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.72
Rot. Bonds5

About 2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one

2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 91843558) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID91843558
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCN(Cc1cc(=O)n2c(C)cccc2n1)Cc1nc(C)no1
InChIInChI=1S/C16H19N5O2/c1-4-20(10-15-17-12(3)19-23-15)9-13-8-16(22)21-11(2)6-5-7-14(21)18-13/h5-8H,4,9-10H2,1-3H3
InChIKeyCBEIPIHADJEQMV-UHFFFAOYSA-N
XLogP1.72
TPSA76.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one (CID 91843558) is 2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is CCN(Cc1cc(=O)n2c(C)cccc2n1)Cc1nc(C)no1.
What is the InChIKey of 2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is CBEIPIHADJEQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-4-20(10-15-17-12(3)19-23-15)9-13-8-16(22)21-11(2)6-5-7-14(21)18-13/h5-8H,4,9-10H2,1-3H3.
What are the key properties of 2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 313.36 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 91843558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).