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

C20H22N4O2 — CID 128979281

IUPAC2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCO[C@@H](CNc2cc(=O)n3ccccc3n2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-23-11-12-26-16(20(23)15-7-3-2-4-8-15)14-21-17-13-19(25)24-10-6-5-9-18(24)22-17/h2-10,13,16,20-21H,11-12,14H2,1H3/t16-,20-/m0/s1
InChIKeyZIJIWMXWTUAOQD-JXFKEZNVSA-N
MW350.42 g/mol
LogP2.18
Rot. Bonds4

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

2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 128979281) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
PubChem CID128979281
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
SMILESCN1CCO[C@@H](CNc2cc(=O)n3ccccc3n2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H22N4O2/c1-23-11-12-26-16(20(23)15-7-3-2-4-8-15)14-21-17-13-19(25)24-10-6-5-9-18(24)22-17/h2-10,13,16,20-21H,11-12,14H2,1H3/t16-,20-/m0/s1
InChIKeyZIJIWMXWTUAOQD-JXFKEZNVSA-N
XLogP2.18
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]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-[[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 124741038
2-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92853203
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methanamine
CID 128976699
1-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]-3-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 126821159
2-[[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 166197919
6-[methyl-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]amino]pyridine-2-carboxylic acid
CID 122057321
2-[[(1-methylpyrrolidin-3-yl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 62670895
2-[(cyclopropylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 60671689
N-[[3-(3-cyclopropylphenyl)-4-methylmorpholin-2-yl]methyl]cyclopropanamine
CID 79971167
N-[[(2S,3S)-4-ethyl-3-phenylmorpholin-2-yl]methyl]methanesulfonamide
CID 128977205
2-[[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one
CID 126922534
N,2,4-trimethyl-N-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methyl]-1,3-oxazole-5-carboxamide
CID 128988754

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one (CID 128979281) is 2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one is CN1CCO[C@@H](CNc2cc(=O)n3ccccc3n2)[C@@H]1c1ccccc1.
What is the InChIKey of 2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is ZIJIWMXWTUAOQD-JXFKEZNVSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-23-11-12-26-16(20(23)15-7-3-2-4-8-15)14-21-17-13-19(25)24-10-6-5-9-18(24)22-17/h2-10,13,16,20-21H,11-12,14H2,1H3/t16-,20-/m0/s1.
What are the key properties of 2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one?
2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 350.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,3S)-4-methyl-3-phenylmorpholin-2-yl]methylamino]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 128979281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).