2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine

C13H15N3O2S — CID 157056170

IUPAC2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine
SMILESCC(C)S(=O)(=O)Cc1nccc(-c2ccccn2)n1
InChIInChI=1S/C13H15N3O2S/c1-10(2)19(17,18)9-13-15-8-6-12(16-13)11-5-3-4-7-14-11/h3-8,10H,9H2,1-2H3
InChIKeyZONPPRGJSOMDCD-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.86
Rot. Bonds4

About 2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine

2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine (PubChem CID 157056170) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine
PubChem CID157056170
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine
SMILESCC(C)S(=O)(=O)Cc1nccc(-c2ccccn2)n1
InChIInChI=1S/C13H15N3O2S/c1-10(2)19(17,18)9-13-15-8-6-12(16-13)11-5-3-4-7-14-11/h3-8,10H,9H2,1-2H3
InChIKeyZONPPRGJSOMDCD-UHFFFAOYSA-N
XLogP1.86
TPSA72.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine?
The IUPAC name of 2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine (CID 157056170) is 2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine.
What is the SMILES notation for 2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine?
The canonical SMILES for 2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine is CC(C)S(=O)(=O)Cc1nccc(-c2ccccn2)n1.
What is the InChIKey of 2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine?
The InChIKey is ZONPPRGJSOMDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10(2)19(17,18)9-13-15-8-6-12(16-13)11-5-3-4-7-14-11/h3-8,10H,9H2,1-2H3.
What are the key properties of 2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine?
2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine has a molecular weight of 277.35 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylsulfonylmethyl)-4-pyridin-2-ylpyrimidine is sourced from PubChem (CID 157056170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).