2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide

C10H11N5O2S — CID 107547660

IUPAC2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide
SMILESCN1C(=O)CC(Nc2nccc(C(N)=S)n2)C1=O
InChIInChI=1S/C10H11N5O2S/c1-15-7(16)4-6(9(15)17)14-10-12-3-2-5(13-10)8(11)18/h2-3,6H,4H2,1H3,(H2,11,18)(H,12,13,14)
InChIKeyDIWXVSWIUMBIRD-UHFFFAOYSA-N
MW265.30 g/mol
LogP-0.72
Rot. Bonds3

About 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide

2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide (PubChem CID 107547660) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide.

Molecular Properties

Compound Name2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide
PubChem CID107547660
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC Name2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide
SMILESCN1C(=O)CC(Nc2nccc(C(N)=S)n2)C1=O
InChIInChI=1S/C10H11N5O2S/c1-15-7(16)4-6(9(15)17)14-10-12-3-2-5(13-10)8(11)18/h2-3,6H,4H2,1H3,(H2,11,18)(H,12,13,14)
InChIKeyDIWXVSWIUMBIRD-UHFFFAOYSA-N
XLogP-0.72
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 5-0.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[[2-(methylamino)pyrimidin-4-yl]amino]pyrrolidine-2,5-dione
CID 80856368
2-(oxan-4-ylamino)pyrimidine-4-carbothioamide
CID 107546679
2-[(2,3-dimethylcyclopentyl)amino]pyrimidine-4-carbothioamide
CID 107547610
2-[(1-oxothian-4-yl)amino]pyrimidine-4-carbothioamide
CID 107548069
4-methyl-2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-5-carboxylic acid
CID 83183986
3-[(5-iodopyrimidin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 116648433
2-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]pyrimidine-4-carbothioamide
CID 107547985
2-[(1-methyl-2,6-dioxopiperidin-3-yl)amino]pyrimidine-4-carbonitrile
CID 107544747
1-methyl-3-(1,3-thiazol-2-ylamino)pyrrolidine-2,5-dione
CID 43635903
N-methyl-6-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyridazine-3-carboxamide
CID 79905237
3-[(5,6-dimethylpyrazin-2-yl)amino]-1-methylpyrrolidine-2,5-dione
CID 114475935
2-[(1-methyl-1,2,4-triazol-3-yl)methylamino]pyrimidine-4-carbothioamide
CID 114125566

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide?
The IUPAC name of 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide (CID 107547660) is 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide.
What is the SMILES notation for 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide?
The canonical SMILES for 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide is CN1C(=O)CC(Nc2nccc(C(N)=S)n2)C1=O.
What is the InChIKey of 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide?
The InChIKey is DIWXVSWIUMBIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-15-7(16)4-6(9(15)17)14-10-12-3-2-5(13-10)8(11)18/h2-3,6H,4H2,1H3,(H2,11,18)(H,12,13,14).
What are the key properties of 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide?
2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide has a molecular weight of 265.30 g/mol, XLogP of -0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-2,5-dioxopyrrolidin-3-yl)amino]pyrimidine-4-carbothioamide is sourced from PubChem (CID 107547660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).