5-methylsulfonylpyrimidin-4-amine

C5H7N3O2S — CID 66268416

IUPAC5-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cncnc1N
InChIInChI=1S/C5H7N3O2S/c1-11(9,10)4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)
InChIKeyPCRRCSHVWPGQBX-UHFFFAOYSA-N
MW173.20 g/mol
LogP-0.54
Rot. Bonds1

About 5-methylsulfonylpyrimidin-4-amine

5-methylsulfonylpyrimidin-4-amine (PubChem CID 66268416) has the molecular formula C5H7N3O2S and a molecular weight of 173.20 g/mol. Its IUPAC name is 5-methylsulfonylpyrimidin-4-amine.

Molecular Properties

Compound Name5-methylsulfonylpyrimidin-4-amine
PubChem CID66268416
Molecular FormulaC5H7N3O2S
Molecular Weight173.20 g/mol
Exact Mass173.03
IUPAC Name5-methylsulfonylpyrimidin-4-amine
SMILESCS(=O)(=O)c1cncnc1N
InChIInChI=1S/C5H7N3O2S/c1-11(9,10)4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8)
InChIKeyPCRRCSHVWPGQBX-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 5-methylsulfonylpyrimidin-4-amine?
The IUPAC name of 5-methylsulfonylpyrimidin-4-amine (CID 66268416) is 5-methylsulfonylpyrimidin-4-amine.
What is the SMILES notation for 5-methylsulfonylpyrimidin-4-amine?
The canonical SMILES for 5-methylsulfonylpyrimidin-4-amine is CS(=O)(=O)c1cncnc1N.
What is the InChIKey of 5-methylsulfonylpyrimidin-4-amine?
The InChIKey is PCRRCSHVWPGQBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2S/c1-11(9,10)4-2-7-3-8-5(4)6/h2-3H,1H3,(H2,6,7,8).
What are the key properties of 5-methylsulfonylpyrimidin-4-amine?
5-methylsulfonylpyrimidin-4-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 5-methylsulfonylpyrimidin-4-amine is sourced from PubChem (CID 66268416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).