5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine

C11H12N4O2S — CID 174688955

IUPAC5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)c1ccccc1-c1cnc(N)nc1N
InChIInChI=1S/C11H12N4O2S/c1-18(16,17)9-5-3-2-4-7(9)8-6-14-11(13)15-10(8)12/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyBENHMQSJUIBXGG-UHFFFAOYSA-N
MW264.31 g/mol
LogP0.71
Rot. Bonds2

About 5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine

5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine (PubChem CID 174688955) has the molecular formula C11H12N4O2S and a molecular weight of 264.31 g/mol. Its IUPAC name is 5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine
PubChem CID174688955
Molecular FormulaC11H12N4O2S
Molecular Weight264.31 g/mol
Exact Mass264.07
IUPAC Name5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)c1ccccc1-c1cnc(N)nc1N
InChIInChI=1S/C11H12N4O2S/c1-18(16,17)9-5-3-2-4-7(9)8-6-14-11(13)15-10(8)12/h2-6H,1H3,(H4,12,13,14,15)
InChIKeyBENHMQSJUIBXGG-UHFFFAOYSA-N
XLogP0.71
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine (CID 174688955) is 5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine is CS(=O)(=O)c1ccccc1-c1cnc(N)nc1N.
What is the InChIKey of 5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine?
The InChIKey is BENHMQSJUIBXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2S/c1-18(16,17)9-5-3-2-4-7(9)8-6-14-11(13)15-10(8)12/h2-6H,1H3,(H4,12,13,14,15).
What are the key properties of 5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine?
5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine has a molecular weight of 264.31 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfonylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 174688955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).