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

C12H15N3O2 — CID 168723362

IUPAC2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H](O)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H15N3O2/c1-9(16)7-13-8-10-6-12(17)15-5-3-2-4-11(15)14-10/h2-6,9,13,16H,7-8H2,1H3/t9-/m0/s1
InChIKeyLQLQIYSGBWULOB-VIFPVBQESA-N
MW233.27 g/mol
LogP0.16
Rot. Bonds4

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

2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 168723362) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID168723362
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@H](O)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C12H15N3O2/c1-9(16)7-13-8-10-6-12(17)15-5-3-2-4-11(15)14-10/h2-6,9,13,16H,7-8H2,1H3/t9-/m0/s1
InChIKeyLQLQIYSGBWULOB-VIFPVBQESA-N
XLogP0.16
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[[(2S)-2-hydroxypropyl]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

Related Compounds

2-(propylaminomethyl)pyrido[1,2-a]pyrimidin-4-one
CID 60671768
2-[(2,2-dimethylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 55104756
2-[(4-hydroxybutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 83177884
2-[[(1-methylpyrazol-3-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 82881777
N-tert-butyl-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]acetamide
CID 78915598
2-[(pentan-3-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60672100
2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]phenyl]-N-propan-2-ylacetamide
CID 86930979
2-[(2-phenylethylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671040
2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methylamino]ethylurea
CID 83121210
2-[(3-methylsulfonylpropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670048
2-[[(1,5-dimethylpyrazol-4-yl)methylamino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 106044537
2-[(ethoxyamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60702906

Frequently Asked Questions

What is the IUPAC name of 2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 168723362) is 2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@H](O)CNCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LQLQIYSGBWULOB-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(16)7-13-8-10-6-12(17)15-5-3-2-4-11(15)14-10/h2-6,9,13,16H,7-8H2,1H3/t9-/m0/s1.
What are the key properties of 2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 233.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(2S)-2-hydroxypropyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 168723362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).