3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione

C9H9IN4O2 — CID 116648433

IUPAC3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2ncc(I)cn2)C1=O
InChIInChI=1S/C9H9IN4O2/c1-14-7(15)2-6(8(14)16)13-9-11-3-5(10)4-12-9/h3-4,6H,2H2,1H3,(H,11,12,13)
InChIKeyOIZNHPIAUFXFFT-UHFFFAOYSA-N
MW332.10 g/mol
LogP0.25
Rot. Bonds2

About 3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione

3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione (PubChem CID 116648433) has the molecular formula C9H9IN4O2 and a molecular weight of 332.10 g/mol. Its IUPAC name is 3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
PubChem CID116648433
Molecular FormulaC9H9IN4O2
Molecular Weight332.10 g/mol
Exact Mass331.98
IUPAC Name3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2ncc(I)cn2)C1=O
InChIInChI=1S/C9H9IN4O2/c1-14-7(15)2-6(8(14)16)13-9-11-3-5(10)4-12-9/h3-4,6H,2H2,1H3,(H,11,12,13)
InChIKeyOIZNHPIAUFXFFT-UHFFFAOYSA-N
XLogP0.25
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.10
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid
CID 83183986
3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 114475935
3-[(5-tert-butyl-2-pyridinyl)amino]-1-methylpyrrolidine-2,5-dione
CID 107874760
1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
CID 43635903
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide
CID 107547660
1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
CID 80856368
3-[(5-chloropyrimidin-2-yl)amino]-1-propan-2-ylpyrrolidine-2,5-dione
CID 71970963
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 114417838
3-[(4-amino-1-methylpyrazol-3-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 103078644
3-(3,4-dihydro-2H-pyrrol-5-ylamino)-1-methylpyrrolidine-2,5-dione
CID 79504566
1-methyl-3-[4-(1,3-oxazol-5-yl)anilino]pyrrolidine-2,5-dione
CID 60934102
3-[[5-bromo-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-1-methylpyrrolidine-2,5-dione
CID 114439586

Frequently Asked Questions

What is the IUPAC name of 3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione (CID 116648433) is 3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Nc2ncc(I)cn2)C1=O.
What is the InChIKey of 3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
The InChIKey is OIZNHPIAUFXFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN4O2/c1-14-7(15)2-6(8(14)16)13-9-11-3-5(10)4-12-9/h3-4,6H,2H2,1H3,(H,11,12,13).
What are the key properties of 3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione?
3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione has a molecular weight of 332.10 g/mol, XLogP of 0.25, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 116648433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).