3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione

C12H16N4O3 — CID 112638088

IUPAC3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione
SMILESCC(C)Oc1ccnc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C12H16N4O3/c1-7(2)19-10-5-6-13-12(16-10)14-8-3-4-9(17)15-11(8)18/h5-8H,3-4H2,1-2H3,(H,13,14,16)(H,15,17,18)
InChIKeyFRBZYAXKUWIRIS-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.48
Rot. Bonds4

About 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione

3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione (PubChem CID 112638088) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione
PubChem CID112638088
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione
SMILESCC(C)Oc1ccnc(NC2CCC(=O)NC2=O)n1
InChIInChI=1S/C12H16N4O3/c1-7(2)19-10-5-6-13-12(16-10)14-8-3-4-9(17)15-11(8)18/h5-8H,3-4H2,1-2H3,(H,13,14,16)(H,15,17,18)
InChIKeyFRBZYAXKUWIRIS-UHFFFAOYSA-N
XLogP0.48
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.48
H-Bond Donors ≤ 52
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-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione (CID 112638088) is 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione is CC(C)Oc1ccnc(NC2CCC(=O)NC2=O)n1.
What is the InChIKey of 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione?
The InChIKey is FRBZYAXKUWIRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-7(2)19-10-5-6-13-12(16-10)14-8-3-4-9(17)15-11(8)18/h5-8H,3-4H2,1-2H3,(H,13,14,16)(H,15,17,18).
What are the key properties of 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione?
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione has a molecular weight of 264.28 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propan-2-yloxypyrimidin-2-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 112638088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).