3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione

C23H29N5O2 — CID 5304542

IUPAC3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(NCC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1
InChIInChI=1S/C23H29N5O2/c1-15-4-6-19(7-5-15)28-21(29)13-20(22(28)30)24-14-18-8-10-27(11-9-18)23-25-16(2)12-17(3)26-23/h4-7,12,18,20,24H,8-11,13-14H2,1-3H3
InChIKeyZMPQFRUYXHXLCJ-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.54
Rot. Bonds5

About 3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione

3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione (PubChem CID 5304542) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
PubChem CID5304542
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(NCC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1
InChIInChI=1S/C23H29N5O2/c1-15-4-6-19(7-5-15)28-21(29)13-20(22(28)30)24-14-18-8-10-27(11-9-18)23-25-16(2)12-17(3)26-23/h4-7,12,18,20,24H,8-11,13-14H2,1-3H3
InChIKeyZMPQFRUYXHXLCJ-UHFFFAOYSA-N
XLogP2.54
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The IUPAC name of 3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione (CID 5304542) is 3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(NCC3CCN(c4nc(C)cc(C)n4)CC3)C2=O)cc1.
What is the InChIKey of 3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
The InChIKey is ZMPQFRUYXHXLCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-15-4-6-19(7-5-15)28-21(29)13-20(22(28)30)24-14-18-8-10-27(11-9-18)23-25-16(2)12-17(3)26-23/h4-7,12,18,20,24H,8-11,13-14H2,1-3H3.
What are the key properties of 3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione?
3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione has a molecular weight of 407.52 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4,6-dimethylpyrimidin-2-yl)piperidin-4-yl]methylamino]-1-(4-methylphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 5304542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).