3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

C13H19N5O2 — CID 80959212

IUPAC3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCC(C)c1nc(N)cc(NC2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C13H19N5O2/c1-7(2)12-16-9(14)6-10(17-12)15-8-4-5-11(19)18(3)13(8)20/h6-8H,4-5H2,1-3H3,(H3,14,15,16,17)
InChIKeyLLQDNRQRBZYAOG-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.74
Rot. Bonds3

About 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 80959212) has the molecular formula C13H19N5O2 and a molecular weight of 277.33 g/mol. Its IUPAC name is 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
PubChem CID80959212
Molecular FormulaC13H19N5O2
Molecular Weight277.33 g/mol
Exact Mass277.15
IUPAC Name3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCC(C)c1nc(N)cc(NC2CCC(=O)N(C)C2=O)n1
InChIInChI=1S/C13H19N5O2/c1-7(2)12-16-9(14)6-10(17-12)15-8-4-5-11(19)18(3)13(8)20/h6-8H,4-5H2,1-3H3,(H3,14,15,16,17)
InChIKeyLLQDNRQRBZYAOG-UHFFFAOYSA-N
XLogP0.74
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.74
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-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (CID 80959212) is 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is CC(C)c1nc(N)cc(NC2CCC(=O)N(C)C2=O)n1.
What is the InChIKey of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is LLQDNRQRBZYAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-7(2)12-16-9(14)6-10(17-12)15-8-4-5-11(19)18(3)13(8)20/h6-8H,4-5H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 277.33 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 80959212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).