3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

C13H17N3O2 — CID 168723376

IUPAC3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CNC[C@H](C)O
InChIInChI=1S/C13H17N3O2/c1-9(17)7-14-8-11-10(2)15-12-5-3-4-6-16(12)13(11)18/h3-6,9,14,17H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyMEPIXRSLESEXBZ-VIFPVBQESA-N
MW247.30 g/mol
LogP0.47
Rot. Bonds4

About 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one

3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 168723376) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID168723376
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1nc2ccccn2c(=O)c1CNC[C@H](C)O
InChIInChI=1S/C13H17N3O2/c1-9(17)7-14-8-11-10(2)15-12-5-3-4-6-16(12)13(11)18/h3-6,9,14,17H,7-8H2,1-2H3/t9-/m0/s1
InChIKeyMEPIXRSLESEXBZ-VIFPVBQESA-N
XLogP0.47
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[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 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 168723376) is 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is Cc1nc2ccccn2c(=O)c1CNC[C@H](C)O.
What is the InChIKey of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MEPIXRSLESEXBZ-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9(17)7-14-8-11-10(2)15-12-5-3-4-6-16(12)13(11)18/h3-6,9,14,17H,7-8H2,1-2H3/t9-/m0/s1.
What are the key properties of 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 247.30 g/mol, XLogP of 0.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(2S)-2-hydroxypropyl]amino]methyl]-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 168723376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).