5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine

C16H13N3OS — CID 1487222

IUPAC5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1ccccc1
InChIInChI=1S/C16H13N3OS/c1-20-14-11-18-15(13-9-5-6-10-17-13)19-16(14)21-12-7-3-2-4-8-12/h2-11H,1H3
InChIKeySBAYNQGWPJSALG-UHFFFAOYSA-N
MW295.37 g/mol
LogP3.70
Rot. Bonds4

About 5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine

5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine (PubChem CID 1487222) has the molecular formula C16H13N3OS and a molecular weight of 295.37 g/mol. Its IUPAC name is 5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine
PubChem CID1487222
Molecular FormulaC16H13N3OS
Molecular Weight295.37 g/mol
Exact Mass295.08
IUPAC Name5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine
SMILESCOc1cnc(-c2ccccn2)nc1Sc1ccccc1
InChIInChI=1S/C16H13N3OS/c1-20-14-11-18-15(13-9-5-6-10-17-13)19-16(14)21-12-7-3-2-4-8-12/h2-11H,1H3
InChIKeySBAYNQGWPJSALG-UHFFFAOYSA-N
XLogP3.70
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine?
The IUPAC name of 5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine (CID 1487222) is 5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine.
What is the SMILES notation for 5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine?
The canonical SMILES for 5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine is COc1cnc(-c2ccccn2)nc1Sc1ccccc1.
What is the InChIKey of 5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine?
The InChIKey is SBAYNQGWPJSALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3OS/c1-20-14-11-18-15(13-9-5-6-10-17-13)19-16(14)21-12-7-3-2-4-8-12/h2-11H,1H3.
What are the key properties of 5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine?
5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine has a molecular weight of 295.37 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-phenylsulfanyl-2-pyridin-2-ylpyrimidine is sourced from PubChem (CID 1487222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).