2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine

C13H16N6O2S — CID 2873992

IUPAC2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine
SMILESCc1cc(C)nc(N=C(N)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C13H16N6O2S/c1-8-7-9(2)17-13(16-8)19-12(14)18-10-3-5-11(6-4-10)22(15,20)21/h3-7H,1-2H3,(H2,15,20,21)(H3,14,16,17,18,19)
InChIKeyJMOQHXGEMPHAGA-UHFFFAOYSA-N
MW320.38 g/mol
LogP0.80
Rot. Bonds3

About 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine

2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine (PubChem CID 2873992) has the molecular formula C13H16N6O2S and a molecular weight of 320.38 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine
PubChem CID2873992
Molecular FormulaC13H16N6O2S
Molecular Weight320.38 g/mol
Exact Mass320.11
IUPAC Name2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine
SMILESCc1cc(C)nc(N=C(N)Nc2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C13H16N6O2S/c1-8-7-9(2)17-13(16-8)19-12(14)18-10-3-5-11(6-4-10)22(15,20)21/h3-7H,1-2H3,(H2,15,20,21)(H3,14,16,17,18,19)
InChIKeyJMOQHXGEMPHAGA-UHFFFAOYSA-N
XLogP0.80
TPSA136.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.38
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4,6-dimethylpyrimidin-2-yl)-1-(4-methylphenyl)guanidine
CID 2864540
N-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]propanamide
CID 3363508
propan-2-yl 2-[4-[[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]amino]phenyl]acetate
CID 2926873
2-tert-butyl-1-(4-sulfamoylphenyl)guanidine
CID 55068310
2-(4,6-dimethylpyrimidin-2-yl)-1-(2-ethylphenyl)guanidine
CID 2886994
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(4-sulfamoylphenyl)butanamide
CID 108787748
2-(4,6-dimethylpyrimidin-2-yl)-1-(3-methoxy-4-phenylphenyl)guanidine
CID 11537543
4-[(2,6-dimethylpyrimidin-4-yl)amino]benzenesulfonamide
CID 15788206
1-(4-bromonaphthalen-1-yl)-2-(4,6-dimethylpyrimidin-2-yl)guanidine
CID 11545176
4-amino-6-methyl-N-(4-sulfamoylphenyl)pyridine-3-carboxamide
CID 81237472
1-(4-cyclohexylphenyl)-2-(4-methoxy-6-methylpyrimidin-2-yl)guanidine
CID 58638806
N-[4-[(2,5-dimethoxyphenyl)-[N'-(4,6-dimethylpyrimidin-2-yl)carbamimidoyl]sulfamoyl]phenyl]acetamide
CID 2901352

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine?
The IUPAC name of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine (CID 2873992) is 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine is Cc1cc(C)nc(N=C(N)Nc2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine?
The InChIKey is JMOQHXGEMPHAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2S/c1-8-7-9(2)17-13(16-8)19-12(14)18-10-3-5-11(6-4-10)22(15,20)21/h3-7H,1-2H3,(H2,15,20,21)(H3,14,16,17,18,19).
What are the key properties of 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine?
2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine has a molecular weight of 320.38 g/mol, XLogP of 0.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-2-yl)-1-(4-sulfamoylphenyl)guanidine is sourced from PubChem (CID 2873992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).