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

C14H15N5O3 — CID 135098965

IUPAC9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nnc(CN(C)Cc2cc(=O)n3cccc(O)c3n2)o1
InChIInChI=1S/C14H15N5O3/c1-9-16-17-12(22-9)8-18(2)7-10-6-13(21)19-5-3-4-11(20)14(19)15-10/h3-6,20H,7-8H2,1-2H3
InChIKeyAFOAHGWHFQRQIZ-UHFFFAOYSA-N
MW301.31 g/mol
LogP0.72
Rot. Bonds4

About 9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135098965) has the molecular formula C14H15N5O3 and a molecular weight of 301.31 g/mol. Its IUPAC name is 9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID135098965
Molecular FormulaC14H15N5O3
Molecular Weight301.31 g/mol
Exact Mass301.12
IUPAC Name9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1nnc(CN(C)Cc2cc(=O)n3cccc(O)c3n2)o1
InChIInChI=1S/C14H15N5O3/c1-9-16-17-12(22-9)8-18(2)7-10-6-13(21)19-5-3-4-11(20)14(19)15-10/h3-6,20H,7-8H2,1-2H3
InChIKeyAFOAHGWHFQRQIZ-UHFFFAOYSA-N
XLogP0.72
TPSA96.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 135098965) is 9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1nnc(CN(C)Cc2cc(=O)n3cccc(O)c3n2)o1.
What is the InChIKey of 9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is AFOAHGWHFQRQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O3/c1-9-16-17-12(22-9)8-18(2)7-10-6-13(21)19-5-3-4-11(20)14(19)15-10/h3-6,20H,7-8H2,1-2H3.
What are the key properties of 9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 301.31 g/mol, XLogP of 0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-[[methyl-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135098965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).