4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine

C16H10N2OS — CID 2877325

IUPAC4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(Sc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C16H10N2OS/c1-2-6-11(7-3-1)20-16-15-14(17-10-18-16)12-8-4-5-9-13(12)19-15/h1-10H
InChIKeyNFFJHORGWVJSDH-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.53
Rot. Bonds2

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

4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 2877325) has the molecular formula C16H10N2OS and a molecular weight of 278.34 g/mol. Its IUPAC name is 4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID2877325
Molecular FormulaC16H10N2OS
Molecular Weight278.34 g/mol
Exact Mass278.05
IUPAC Name4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(Sc2ncnc3c2oc2ccccc23)cc1
InChIInChI=1S/C16H10N2OS/c1-2-6-11(7-3-1)20-16-15-14(17-10-18-16)12-8-4-5-9-13(12)19-15/h1-10H
InChIKeyNFFJHORGWVJSDH-UHFFFAOYSA-N
XLogP4.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine (CID 2877325) is 4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine is c1ccc(Sc2ncnc3c2oc2ccccc23)cc1.
What is the InChIKey of 4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is NFFJHORGWVJSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N2OS/c1-2-6-11(7-3-1)20-16-15-14(17-10-18-16)12-8-4-5-9-13(12)19-15/h1-10H.
What are the key properties of 4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine?
4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 278.34 g/mol, XLogP of 4.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylsulfanyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 2877325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).