4-methylsulfonylpyrimidin-2-amine

C5H7N3O2S — CID 75355599

IUPAC4-methylsulfonylpyrimidin-2-amine
SMILESCS(=O)(=O)c1ccnc(N)n1
InChIInChI=1S/C5H7N3O2S/c1-11(9,10)4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
InChIKeyOCHBVSHNMNOIBB-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.54
Rot. Bonds1

About 4-methylsulfonylpyrimidin-2-amine

4-methylsulfonylpyrimidin-2-amine (PubChem CID 75355599) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 4-methylsulfonylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methylsulfonylpyrimidin-2-amine
PubChem CID75355599
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name4-methylsulfonylpyrimidin-2-amine
SMILESCS(=O)(=O)c1ccnc(N)n1
InChIInChI=1S/C5H7N3O2S/c1-11(9,10)4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8)
InChIKeyOCHBVSHNMNOIBB-UHFFFAOYSA-N
XLogP-0.54
TPSA85.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methylsulfonylpyrimidin-2-amine?
The IUPAC name of 4-methylsulfonylpyrimidin-2-amine (CID 75355599) is 4-methylsulfonylpyrimidin-2-amine.
What is the SMILES notation for 4-methylsulfonylpyrimidin-2-amine?
The canonical SMILES for 4-methylsulfonylpyrimidin-2-amine is CS(=O)(=O)c1ccnc(N)n1.
What is the InChIKey of 4-methylsulfonylpyrimidin-2-amine?
The InChIKey is OCHBVSHNMNOIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-11(9,10)4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,8).
What are the key properties of 4-methylsulfonylpyrimidin-2-amine?
4-methylsulfonylpyrimidin-2-amine has a molecular weight of 173.20 g/mol, XLogP of -0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfonylpyrimidin-2-amine is sourced from PubChem (CID 75355599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).