1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione

C10H12N4O3 — CID 136956871

IUPAC1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione
SMILESCc1nc(NC2CC(=O)N(C)C2=O)cc(=O)[nH]1
InChIInChI=1S/C10H12N4O3/c1-5-11-7(4-8(15)12-5)13-6-3-9(16)14(2)10(6)17/h4,6H,3H2,1-2H3,(H2,11,12,13,15)
InChIKeyJDRDLVBOCVXEPJ-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.75
Rot. Bonds2

About 1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione

1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione (PubChem CID 136956871) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione
PubChem CID136956871
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione
SMILESCc1nc(NC2CC(=O)N(C)C2=O)cc(=O)[nH]1
InChIInChI=1S/C10H12N4O3/c1-5-11-7(4-8(15)12-5)13-6-3-9(16)14(2)10(6)17/h4,6H,3H2,1-2H3,(H2,11,12,13,15)
InChIKeyJDRDLVBOCVXEPJ-UHFFFAOYSA-N
XLogP-0.75
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 ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione?
The IUPAC name of 1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione (CID 136956871) is 1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione is Cc1nc(NC2CC(=O)N(C)C2=O)cc(=O)[nH]1.
What is the InChIKey of 1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione?
The InChIKey is JDRDLVBOCVXEPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c1-5-11-7(4-8(15)12-5)13-6-3-9(16)14(2)10(6)17/h4,6H,3H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione?
1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione has a molecular weight of 236.23 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pyrrolidine-2,5-dione is sourced from PubChem (CID 136956871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).