1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea

C13H13N5O6S — CID 70556011

IUPAC1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea
SMILESCc1cc(C)n(O)c(=NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H13N5O6S/c1-8-7-9(2)17(20)12(14-8)15-13(19)16-25(23,24)11-6-4-3-5-10(11)18(21)22/h3-7,20H,1-2H3,(H,16,19)
InChIKeyJRQSSWDDCNKTEN-UHFFFAOYSA-N
MW367.34 g/mol
LogP0.64
Rot. Bonds3

About 1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea

1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea (PubChem CID 70556011) has the molecular formula C13H13N5O6S and a molecular weight of 367.34 g/mol. Its IUPAC name is 1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea.

Molecular Properties

Compound Name1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea
PubChem CID70556011
Molecular FormulaC13H13N5O6S
Molecular Weight367.34 g/mol
Exact Mass367.06
IUPAC Name1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea
SMILESCc1cc(C)n(O)c(=NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H13N5O6S/c1-8-7-9(2)17(20)12(14-8)15-13(19)16-25(23,24)11-6-4-3-5-10(11)18(21)22/h3-7,20H,1-2H3,(H,16,19)
InChIKeyJRQSSWDDCNKTEN-UHFFFAOYSA-N
XLogP0.64
TPSA156.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea 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-[(1-hydroxy-4-methoxy-6-methylpyrimidin-2-ylidene)carbamoylsulfamoyl]benzoic acid
CID 70552234
1-(4-chloro-6-methylpyrimidin-2-yl)-3-(2-nitrophenyl)sulfonylurea
CID 19864749
N-[4-[(2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]-2-nitrobenzenesulfonamide
CID 4146785
N-(3,5-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 779865
methyl (E)-3-[(2-nitrophenyl)sulfonylamino]but-2-enoate
CID 177472836
N-(2,6-dimethylphenyl)-2-nitrobenzenesulfonamide
CID 3266243
(2S)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767456
(2R)-2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 767454
2-[(2-nitrophenyl)sulfonylamino]propanoic acid
CID 4668880
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-nitrobenzenesulfonamide
CID 43547583
N-(5-methyl-1,2-oxazol-3-yl)-2-nitrobenzenesulfonamide
CID 694816
ethane;1-methylsulfonyl-2-nitrobenzene
CID 143845795

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea?
The IUPAC name of 1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea (CID 70556011) is 1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea.
What is the SMILES notation for 1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea?
The canonical SMILES for 1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea is Cc1cc(C)n(O)c(=NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea?
The InChIKey is JRQSSWDDCNKTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O6S/c1-8-7-9(2)17(20)12(14-8)15-13(19)16-25(23,24)11-6-4-3-5-10(11)18(21)22/h3-7,20H,1-2H3,(H,16,19).
What are the key properties of 1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea?
1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea has a molecular weight of 367.34 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxy-4,6-dimethylpyrimidin-2-ylidene)-3-(2-nitrophenyl)sulfonylurea is sourced from PubChem (CID 70556011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).