4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine

C17H15N3O3S — CID 1488337

IUPAC4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine
SMILESCOc1ccc(-c2nc(-c3ccccn3)ncc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H15N3O3S/c1-23-13-8-6-12(7-9-13)16-15(24(2,21)22)11-19-17(20-16)14-5-3-4-10-18-14/h3-11H,1-2H3
InChIKeyRXKJPJFBAZMNJJ-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.62
Rot. Bonds4

About 4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine

4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine (PubChem CID 1488337) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine
PubChem CID1488337
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine
SMILESCOc1ccc(-c2nc(-c3ccccn3)ncc2S(C)(=O)=O)cc1
InChIInChI=1S/C17H15N3O3S/c1-23-13-8-6-12(7-9-13)16-15(24(2,21)22)11-19-17(20-16)14-5-3-4-10-18-14/h3-11H,1-2H3
InChIKeyRXKJPJFBAZMNJJ-UHFFFAOYSA-N
XLogP2.62
TPSA82.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine (CID 1488337) is 4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine is COc1ccc(-c2nc(-c3ccccn3)ncc2S(C)(=O)=O)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine?
The InChIKey is RXKJPJFBAZMNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-23-13-8-6-12(7-9-13)16-15(24(2,21)22)11-19-17(20-16)14-5-3-4-10-18-14/h3-11H,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine?
4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine has a molecular weight of 341.39 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-5-methylsulfonyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1488337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).