imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate

C13H11N3O3S — CID 156621287

IUPACimidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)Oc2nccc3nccn23)cc1
InChIInChI=1S/C13H11N3O3S/c1-10-2-4-11(5-3-10)20(17,18)19-13-15-7-6-12-14-8-9-16(12)13/h2-9H,1H3
InChIKeyUQSJKOQBQJIUAT-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.81
Rot. Bonds3

About imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate

imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate (PubChem CID 156621287) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate.

Molecular Properties

Compound Nameimidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate
PubChem CID156621287
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Nameimidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate
SMILESCc1ccc(S(=O)(=O)Oc2nccc3nccn23)cc1
InChIInChI=1S/C13H11N3O3S/c1-10-2-4-11(5-3-10)20(17,18)19-13-15-7-6-12-14-8-9-16(12)13/h2-9H,1H3
InChIKeyUQSJKOQBQJIUAT-UHFFFAOYSA-N
XLogP1.81
TPSA73.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate 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

2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
magnesium;pyridin-4-yl 4-methylbenzenesulfonate;sulfate
CID 167343884
(4-methylphenyl)sulfonyl sulfate
CID 23103740
(6-methoxypyridazin-3-yl) 4-methylbenzenesulfonate
CID 121013633
(4,6-dimethylpyrimidin-2-yl) 4-methylbenzenesulfonate
CID 2306589
1-(4-methylphenyl)sulfonyloxyethyl 4-methylbenzenesulfonate
CID 54380954
(5-bromo-2-pyridinyl) 4-methylbenzenesulfonate
CID 52921066
(5-iodo-2-pyridinyl) 4-methylbenzenesulfonate
CID 102414678
(4-methylsulfonylphenyl) 4-methylbenzenesulfonate
CID 20811037
ethane;5-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 142047032
[4-(3-methylpyrazol-1-yl)quinolin-8-yl] 4-methylbenzenesulfonate
CID 24827279
(3-carbamoyl-2-pyridinyl) 4-methylbenzenesulfonate
CID 174559112

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate?
The IUPAC name of imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate (CID 156621287) is imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate.
What is the SMILES notation for imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate?
The canonical SMILES for imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate is Cc1ccc(S(=O)(=O)Oc2nccc3nccn23)cc1.
What is the InChIKey of imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate?
The InChIKey is UQSJKOQBQJIUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-10-2-4-11(5-3-10)20(17,18)19-13-15-7-6-12-14-8-9-16(12)13/h2-9H,1H3.
What are the key properties of imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate?
imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate has a molecular weight of 289.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-c]pyrimidin-5-yl 4-methylbenzenesulfonate is sourced from PubChem (CID 156621287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).