2-methylsulfonylpyrimidin-5-amine

C5H7N3O2S — CID 549170

IUPAC2-methylsulfonylpyrimidin-5-amine
SMILESCS(=O)(=O)c1ncc(N)cn1
InChIInChI=1S/C5H7N3O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,6H2,1H3
InChIKeyZELVQVPQIRFOQU-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.54
Rot. Bonds1

About 2-methylsulfonylpyrimidin-5-amine

2-methylsulfonylpyrimidin-5-amine (PubChem CID 549170) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 2-methylsulfonylpyrimidin-5-amine.

Molecular Properties

Compound Name2-methylsulfonylpyrimidin-5-amine
PubChem CID549170
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name2-methylsulfonylpyrimidin-5-amine
SMILESCS(=O)(=O)c1ncc(N)cn1
InChIInChI=1S/C5H7N3O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,6H2,1H3
InChIKeyZELVQVPQIRFOQU-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 2-methylsulfonylpyrimidin-5-amine?
The IUPAC name of 2-methylsulfonylpyrimidin-5-amine (CID 549170) is 2-methylsulfonylpyrimidin-5-amine.
What is the SMILES notation for 2-methylsulfonylpyrimidin-5-amine?
The canonical SMILES for 2-methylsulfonylpyrimidin-5-amine is CS(=O)(=O)c1ncc(N)cn1.
What is the InChIKey of 2-methylsulfonylpyrimidin-5-amine?
The InChIKey is ZELVQVPQIRFOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-11(9,10)5-7-2-4(6)3-8-5/h2-3H,6H2,1H3.
What are the key properties of 2-methylsulfonylpyrimidin-5-amine?
2-methylsulfonylpyrimidin-5-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 2-methylsulfonylpyrimidin-5-amine is sourced from PubChem (CID 549170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).