2-methylsulfonyl-4-pyridin-3-ylpyrimidine

C10H9N3O2S — CID 46909855

IUPAC2-methylsulfonyl-4-pyridin-3-ylpyrimidine
SMILESCS(=O)(=O)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C10H9N3O2S/c1-16(14,15)10-12-6-4-9(13-10)8-3-2-5-11-7-8/h2-7H,1H3
InChIKeyYOORFANBYYVNMQ-UHFFFAOYSA-N
MW235.27 g/mol
LogP0.94
Rot. Bonds2

About 2-methylsulfonyl-4-pyridin-3-ylpyrimidine

2-methylsulfonyl-4-pyridin-3-ylpyrimidine (PubChem CID 46909855) has the molecular formula C10H9N3O2S and a molecular weight of 235.27 g/mol. Its IUPAC name is 2-methylsulfonyl-4-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name2-methylsulfonyl-4-pyridin-3-ylpyrimidine
PubChem CID46909855
Molecular FormulaC10H9N3O2S
Molecular Weight235.27 g/mol
Exact Mass235.04
IUPAC Name2-methylsulfonyl-4-pyridin-3-ylpyrimidine
SMILESCS(=O)(=O)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C10H9N3O2S/c1-16(14,15)10-12-6-4-9(13-10)8-3-2-5-11-7-8/h2-7H,1H3
InChIKeyYOORFANBYYVNMQ-UHFFFAOYSA-N
XLogP0.94
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-4-pyridin-3-ylpyrimidine?
The IUPAC name of 2-methylsulfonyl-4-pyridin-3-ylpyrimidine (CID 46909855) is 2-methylsulfonyl-4-pyridin-3-ylpyrimidine.
What is the SMILES notation for 2-methylsulfonyl-4-pyridin-3-ylpyrimidine?
The canonical SMILES for 2-methylsulfonyl-4-pyridin-3-ylpyrimidine is CS(=O)(=O)c1nccc(-c2cccnc2)n1.
What is the InChIKey of 2-methylsulfonyl-4-pyridin-3-ylpyrimidine?
The InChIKey is YOORFANBYYVNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O2S/c1-16(14,15)10-12-6-4-9(13-10)8-3-2-5-11-7-8/h2-7H,1H3.
What are the key properties of 2-methylsulfonyl-4-pyridin-3-ylpyrimidine?
2-methylsulfonyl-4-pyridin-3-ylpyrimidine has a molecular weight of 235.27 g/mol, XLogP of 0.94, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-4-pyridin-3-ylpyrimidine is sourced from PubChem (CID 46909855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).