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

C12H16N4O3 — CID 136976210

IUPAC3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCCc1nc(NC2CCC(=O)N(C)C2=O)cc(=O)[nH]1
InChIInChI=1S/C12H16N4O3/c1-3-8-14-9(6-10(17)15-8)13-7-4-5-11(18)16(2)12(7)19/h6-7H,3-5H2,1-2H3,(H2,13,14,15,17)
InChIKeyQVOZPMHSXRKMJW-UHFFFAOYSA-N
MW264.28 g/mol
LogP-0.11
Rot. Bonds3

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

3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (PubChem CID 136976210) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
PubChem CID136976210
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Name3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
SMILESCCc1nc(NC2CCC(=O)N(C)C2=O)cc(=O)[nH]1
InChIInChI=1S/C12H16N4O3/c1-3-8-14-9(6-10(17)15-8)13-7-4-5-11(18)16(2)12(7)19/h6-7H,3-5H2,1-2H3,(H2,13,14,15,17)
InChIKeyQVOZPMHSXRKMJW-UHFFFAOYSA-N
XLogP-0.11
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 5-0.11
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

3-(2,4-Dimethyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 134488797
3-(6-Oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 134580135
3-(4-Bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142364678
Methane;3-(6-oxo-4-piperazin-1-ylpyrimidin-1-yl)piperidine-2,6-dione
CID 142367643
3-(4-Iodo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142385861
2-(methylamino)-N-(4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-2-yl)acetamide
CID 164573864
3-[(4-Ethyl-3-oxopyrazin-2-yl)amino]-1-methylpiperidine-2,6-dione
CID 65960612
1-Methyl-3-[(3-oxo-4-propylpyrazin-2-yl)amino]piperidine-2,6-dione
CID 65960825
1-Methyl-3-[(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]piperidine-2,6-dione
CID 65961033
1-Methyl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]piperidine-2,6-dione
CID 65961435
3-[(4-Ethyl-3-oxopyrazin-2-yl)amino]piperidine-2,6-dione
CID 65967761
3-[(4-Methyl-3-oxopyrazin-2-yl)amino]piperidine-2,6-dione
CID 65968546

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The IUPAC name of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione (CID 136976210) is 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The canonical SMILES for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is CCc1nc(NC2CCC(=O)N(C)C2=O)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
The InChIKey is QVOZPMHSXRKMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-3-8-14-9(6-10(17)15-8)13-7-4-5-11(18)16(2)12(7)19/h6-7H,3-5H2,1-2H3,(H2,13,14,15,17).
What are the key properties of 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione?
3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione has a molecular weight of 264.28 g/mol, XLogP of -0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione is sourced from PubChem (CID 136976210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).