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

C10H12N4O3 — CID 136976211

IUPAC1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2cc(=O)[nH]cn2)C1=O
InChIInChI=1S/C10H12N4O3/c1-14-9(16)3-2-6(10(14)17)13-7-4-8(15)12-5-11-7/h4-6H,2-3H2,1H3,(H2,11,12,13,15)
InChIKeyYOBREKCHUQQMCV-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.67
Rot. Bonds2

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

1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione (PubChem CID 136976211) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione
PubChem CID136976211
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESCN1C(=O)CCC(Nc2cc(=O)[nH]cn2)C1=O
InChIInChI=1S/C10H12N4O3/c1-14-9(16)3-2-6(10(14)17)13-7-4-8(15)12-5-11-7/h4-6H,2-3H2,1H3,(H2,11,12,13,15)
InChIKeyYOBREKCHUQQMCV-UHFFFAOYSA-N
XLogP-0.67
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione with MolForge

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Related Compounds

3-(4-Fluoro-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 155219511
US12441708, Example 29
CID 135279004
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-(6-Oxopyrimidin-1-yl)piperidine-2,6-dione
CID 138467610
3-(4-Bromo-2-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142364678
3-(4-Bromo-6-oxopyrimidin-1-yl)piperidine-2,6-dione
CID 142367462
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
3-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione;ethane
CID 177998536
CID 177998615
CID 177998615
3-(5-Amino-4-methyl-6-oxopyrimidin-1-yl)piperidine-2,6-dione;ethane
CID 177998681

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
The IUPAC name of 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione (CID 136976211) is 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione is CN1C(=O)CCC(Nc2cc(=O)[nH]cn2)C1=O.
What is the InChIKey of 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
The InChIKey is YOBREKCHUQQMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-14-9(16)3-2-6(10(14)17)13-7-4-8(15)12-5-11-7/h4-6H,2-3H2,1H3,(H2,11,12,13,15).
What are the key properties of 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione has a molecular weight of 236.23 g/mol, XLogP of -0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 136976211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).