6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine

C9H16N6O2S — CID 78982341

IUPAC6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C9H16N6O2S/c1-18(16,17)15-4-2-14(3-5-15)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H4,10,11,12,13)
InChIKeyVVTXBWCNXFRMNR-UHFFFAOYSA-N
MW272.33 g/mol
LogP-1.28
Rot. Bonds2

About 6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine

6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine (PubChem CID 78982341) has the molecular formula C9H16N6O2S and a molecular weight of 272.33 g/mol. Its IUPAC name is 6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
PubChem CID78982341
Molecular FormulaC9H16N6O2S
Molecular Weight272.33 g/mol
Exact Mass272.11
IUPAC Name6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine
SMILESCS(=O)(=O)N1CCN(c2cc(N)nc(N)n2)CC1
InChIInChI=1S/C9H16N6O2S/c1-18(16,17)15-4-2-14(3-5-15)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H4,10,11,12,13)
InChIKeyVVTXBWCNXFRMNR-UHFFFAOYSA-N
XLogP-1.28
TPSA118.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(4-methylsulfonylpiperazin-1-yl)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 6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine (CID 78982341) is 6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine is CS(=O)(=O)N1CCN(c2cc(N)nc(N)n2)CC1.
What is the InChIKey of 6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine?
The InChIKey is VVTXBWCNXFRMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2S/c1-18(16,17)15-4-2-14(3-5-15)8-6-7(10)12-9(11)13-8/h6H,2-5H2,1H3,(H4,10,11,12,13).
What are the key properties of 6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine?
6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine has a molecular weight of 272.33 g/mol, XLogP of -1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfonylpiperazin-1-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 78982341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).