4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine

C15H9N3OS — CID 624350

IUPAC4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(Sc2ncnc3c2oc2ccccc23)nc1
InChIInChI=1S/C15H9N3OS/c1-2-6-11-10(5-1)13-14(19-11)15(18-9-17-13)20-12-7-3-4-8-16-12/h1-9H
InChIKeyDPEHOXYNMRXRAB-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.92
Rot. Bonds2

About 4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine

4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 624350) has the molecular formula C15H9N3OS and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID624350
Molecular FormulaC15H9N3OS
Molecular Weight279.32 g/mol
Exact Mass279.05
IUPAC Name4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(Sc2ncnc3c2oc2ccccc23)nc1
InChIInChI=1S/C15H9N3OS/c1-2-6-11-10(5-1)13-14(19-11)15(18-9-17-13)20-12-7-3-4-8-16-12/h1-9H
InChIKeyDPEHOXYNMRXRAB-UHFFFAOYSA-N
XLogP3.92
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine (CID 624350) is 4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(Sc2ncnc3c2oc2ccccc23)nc1.
What is the InChIKey of 4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is DPEHOXYNMRXRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS/c1-2-6-11-10(5-1)13-14(19-11)15(18-9-17-13)20-12-7-3-4-8-16-12/h1-9H.
What are the key properties of 4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine?
4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 279.32 g/mol, XLogP of 3.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylsulfanyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 624350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).