3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

C13H16N4O3 — CID 136976212

IUPAC3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2cc(=O)[nH]c(C3CC3)n2)C1=O
InChIInChI=1S/C13H16N4O3/c1-17-11(19)5-4-8(13(17)20)14-9-6-10(18)16-12(15-9)7-2-3-7/h6-8H,2-5H2,1H3,(H2,14,15,16,18)
InChIKeyNEJYTFMSSUTTEM-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.21
Rot. Bonds3

About 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione

3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 136976212) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
PubChem CID136976212
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2cc(=O)[nH]c(C3CC3)n2)C1=O
InChIInChI=1S/C13H16N4O3/c1-17-11(19)5-4-8(13(17)20)14-9-6-10(18)16-12(15-9)7-2-3-7/h6-8H,2-5H2,1H3,(H2,14,15,16,18)
InChIKeyNEJYTFMSSUTTEM-UHFFFAOYSA-N
XLogP0.21
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]piperidine-2,6-dione
CID 80856468
3-[(6-hydrazinyl-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80924688
1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione
CID 136956871
3-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80921244
3-[(6-amino-2-propan-2-ylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80959212
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 66326323
3-[(2-ethyl-6-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 80938094
3-[[6-amino-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpiperidine-2,6-dione
CID 106772364
4-(cyclooctylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973649
2-cyclopropyl-4-[(4-methylpiperazin-1-yl)amino]-1H-pyrimidin-6-one
CID 136976670
3-[[6-(ethylamino)pyrazin-2-yl]amino]-1-methylpiperidine-2,6-dione
CID 80855845
2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016422

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (CID 136976212) is 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is CN1C(=O)CCC(Nc2cc(=O)[nH]c(C3CC3)n2)C1=O.
What is the InChIKey of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is NEJYTFMSSUTTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-17-11(19)5-4-8(13(17)20)14-9-6-10(18)16-12(15-9)7-2-3-7/h6-8H,2-5H2,1H3,(H2,14,15,16,18).
What are the key properties of 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 276.30 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 136976212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).