1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione

C22H34N4O2 — CID 133417725

IUPAC1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)c1cc(NC2CCC(N3C(=O)CCC3=O)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C22H34N4O2/c1-21(2,3)16-13-17(25-20(24-16)22(4,5)6)23-14-7-9-15(10-8-14)26-18(27)11-12-19(26)28/h13-15H,7-12H2,1-6H3,(H,23,24,25)
InChIKeyQVZVDXSAYCCRCW-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.94
Rot. Bonds3

About 1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione

1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione (PubChem CID 133417725) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
PubChem CID133417725
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
SMILESCC(C)(C)c1cc(NC2CCC(N3C(=O)CCC3=O)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C22H34N4O2/c1-21(2,3)16-13-17(25-20(24-16)22(4,5)6)23-14-7-9-15(10-8-14)26-18(27)11-12-19(26)28/h13-15H,7-12H2,1-6H3,(H,23,24,25)
InChIKeyQVZVDXSAYCCRCW-UHFFFAOYSA-N
XLogP3.94
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione (CID 133417725) is 1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione is CC(C)(C)c1cc(NC2CCC(N3C(=O)CCC3=O)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
The InChIKey is QVZVDXSAYCCRCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N4O2/c1-21(2,3)16-13-17(25-20(24-16)22(4,5)6)23-14-7-9-15(10-8-14)26-18(27)11-12-19(26)28/h13-15H,7-12H2,1-6H3,(H,23,24,25).
What are the key properties of 1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione?
1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione has a molecular weight of 386.54 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2,6-ditert-butylpyrimidin-4-yl)amino]cyclohexyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 133417725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).