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'}

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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).