3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione

C20H23N5O3 — CID 154810900

IUPAC3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCc1ccc(-c2nc(NC3CCC(=O)NC3=O)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H23N5O3/c1-13-2-4-14(5-3-13)19-22-16(21-15-6-7-18(26)24-20(15)27)12-17(23-19)25-8-10-28-11-9-25/h2-5,12,15H,6-11H2,1H3,(H,21,22,23)(H,24,26,27)
InChIKeyIFGQXWAVCPNKFY-UHFFFAOYSA-N
MW381.44 g/mol
LogP1.51
Rot. Bonds4

About 3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione

3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione (PubChem CID 154810900) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione
PubChem CID154810900
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione
SMILESCc1ccc(-c2nc(NC3CCC(=O)NC3=O)cc(N3CCOCC3)n2)cc1
InChIInChI=1S/C20H23N5O3/c1-13-2-4-14(5-3-13)19-22-16(21-15-6-7-18(26)24-20(15)27)12-17(23-19)25-8-10-28-11-9-25/h2-5,12,15H,6-11H2,1H3,(H,21,22,23)(H,24,26,27)
InChIKeyIFGQXWAVCPNKFY-UHFFFAOYSA-N
XLogP1.51
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione 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

3-[[2-(3-methylphenyl)-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 163343231
N-(4-methylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880543
N-cyclopropyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112879434
N-cycloheptyl-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880530
N-(2-ethylphenyl)-6-morpholin-4-yl-2-phenylpyrimidin-4-amine
CID 112880553
3-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 114565360
1-[6-methyl-2-(4-methylphenyl)pyrimidin-4-yl]piperidin-4-one
CID 56767299
3-[(5-propan-2-yl-1,2-oxazol-3-yl)amino]piperidine-2,6-dione
CID 164720806
3-[(6-amino-2-ethylpyrimidin-4-yl)amino]piperidine-2,6-dione
CID 80941106
3-[(1,5-dimethylindazol-3-yl)amino]piperidine-2,6-dione
CID 177240385
6-morpholin-4-yl-2-phenyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112880500
3-[(4-methylpyrazolo[1,5-a]pyridin-7-yl)amino]piperidine-2,6-dione
CID 171103569

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione (CID 154810900) is 3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione is Cc1ccc(-c2nc(NC3CCC(=O)NC3=O)cc(N3CCOCC3)n2)cc1.
What is the InChIKey of 3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione?
The InChIKey is IFGQXWAVCPNKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-2-4-14(5-3-13)19-22-16(21-15-6-7-18(26)24-20(15)27)12-17(23-19)25-8-10-28-11-9-25/h2-5,12,15H,6-11H2,1H3,(H,21,22,23)(H,24,26,27).
What are the key properties of 3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione?
3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione has a molecular weight of 381.44 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(4-methylphenyl)-6-morpholin-4-ylpyrimidin-4-yl]amino]piperidine-2,6-dione is sourced from PubChem (CID 154810900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).