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

C10H12N4O3 — CID 136976205

IUPAC3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESCc1nc(NC2CCC(=O)NC2=O)cc(=O)[nH]1
InChIInChI=1S/C10H12N4O3/c1-5-11-7(4-9(16)12-5)13-6-2-3-8(15)14-10(6)17/h4,6H,2-3H2,1H3,(H,14,15,17)(H2,11,12,13,16)
InChIKeyLEMQBNIQZNQSCV-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.70
Rot. Bonds2

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

3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione (PubChem CID 136976205) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione
PubChem CID136976205
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione
SMILESCc1nc(NC2CCC(=O)NC2=O)cc(=O)[nH]1
InChIInChI=1S/C10H12N4O3/c1-5-11-7(4-9(16)12-5)13-6-2-3-8(15)14-10(6)17/h4,6H,2-3H2,1H3,(H,14,15,17)(H2,11,12,13,16)
InChIKeyLEMQBNIQZNQSCV-UHFFFAOYSA-N
XLogP-0.70
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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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
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
3-[(5-methyl-3-oxo-2H-[1,2,4]triazolo[4,3-c]pyrimidin-7-yl)amino]piperidine-2,6-dione
CID 66281424
1-methyl-3-[(2-oxo-1H-pyrazin-3-yl)amino]piperidine-2,6-dione
CID 114570815
2-[4-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidin-1-yl]acetamide
CID 136956222
2-methyl-4-[(2-oxopiperidin-3-yl)amino]-1H-pyrimidin-6-one
CID 136956538

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione (CID 136976205) is 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione is Cc1nc(NC2CCC(=O)NC2=O)cc(=O)[nH]1.
What is the InChIKey of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
The InChIKey is LEMQBNIQZNQSCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5-11-7(4-9(16)12-5)13-6-2-3-8(15)14-10(6)17/h4,6H,2-3H2,1H3,(H,14,15,17)(H2,11,12,13,16).
What are the key properties of 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione?
3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione has a molecular weight of 236.23 g/mol, XLogP of -0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]piperidine-2,6-dione is sourced from PubChem (CID 136976205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).