[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone

C24H28N6O3 — CID 124991440

IUPAC[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
SMILESCN(C)CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1
InChIInChI=1S/C24H28N6O3/c1-29(2)10-12-32-19-8-6-17(7-9-19)23(31)30-11-13-33-22(16-30)21-5-3-4-20(28-21)18-14-26-24(25)27-15-18/h3-9,14-15,22H,10-13,16H2,1-2H3,(H2,25,26,27)/t22-/m0/s1
InChIKeyPJJJYWDXAADXJX-QFIPXVFZSA-N
MW448.53 g/mol
LogP2.27
Rot. Bonds7

About [(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone

[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone (PubChem CID 124991440) has the molecular formula C24H28N6O3 and a molecular weight of 448.53 g/mol. Its IUPAC name is [(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
PubChem CID124991440
Molecular FormulaC24H28N6O3
Molecular Weight448.53 g/mol
Exact Mass448.22
IUPAC Name[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
SMILESCN(C)CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1
InChIInChI=1S/C24H28N6O3/c1-29(2)10-12-32-19-8-6-17(7-9-19)23(31)30-11-13-33-22(16-30)21-5-3-4-20(28-21)18-14-26-24(25)27-15-18/h3-9,14-15,22H,10-13,16H2,1-2H3,(H2,25,26,27)/t22-/m0/s1
InChIKeyPJJJYWDXAADXJX-QFIPXVFZSA-N
XLogP2.27
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone 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-(6-benzyl-2-pyridinyl)morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone
CID 132779340
phenyl-[(2S)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 124940424
[(2R)-2-(6-fluoroisoquinolin-3-yl)morpholin-4-yl]-[4-(2-methoxyethoxy)phenyl]methanone
CID 92611268
4-[6-[(2S)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 124951464
4-[6-[(2R)-4-(4-fluorobenzoyl)morpholin-2-yl]-2-pyridinyl]benzamide
CID 124951465
5-[6-[(2R)-4-[4-(methoxymethyl)benzoyl]morpholin-2-yl]-2-pyridinyl]-N-methylpyridine-2-carboxamide
CID 124973780
1-[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950091
1-[(2R)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-2-(3-fluorophenyl)-2-methylpropan-1-one
CID 124950092
(4-methoxyphenyl)-[(2R)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124969089
[2-(methylamino)-4-pyridinyl]-[(2R)-2-(6-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]methanone
CID 125007616
[2-(methylamino)-4-pyridinyl]-[(2S)-2-[6-(1H-pyrazol-4-yl)-2-pyridinyl]morpholin-4-yl]methanone
CID 124958881
1-[2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-3-(1H-indol-3-yl)propan-1-one
CID 127250571

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone?
The IUPAC name of [(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone (CID 124991440) is [(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone.
What is the SMILES notation for [(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone?
The canonical SMILES for [(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone is CN(C)CCOc1ccc(C(=O)N2CCO[C@H](c3cccc(-c4cnc(N)nc4)n3)C2)cc1.
What is the InChIKey of [(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone?
The InChIKey is PJJJYWDXAADXJX-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28N6O3/c1-29(2)10-12-32-19-8-6-17(7-9-19)23(31)30-11-13-33-22(16-30)21-5-3-4-20(28-21)18-14-26-24(25)27-15-18/h3-9,14-15,22H,10-13,16H2,1-2H3,(H2,25,26,27)/t22-/m0/s1.
What are the key properties of [(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone?
[(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone has a molecular weight of 448.53 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(2-aminopyrimidin-5-yl)-2-pyridinyl]morpholin-4-yl]-[4-[2-(dimethylamino)ethoxy]phenyl]methanone is sourced from PubChem (CID 124991440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).