4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine

C15H10N2O2S — CID 4012037

IUPAC4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1coc(CSc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C15H10N2O2S/c1-2-6-12-11(5-1)13-14(19-12)15(17-9-16-13)20-8-10-4-3-7-18-10/h1-7,9H,8H2
InChIKeyKHEGXUXRYPXBGT-UHFFFAOYSA-N
MW282.32 g/mol
LogP4.26
Rot. Bonds3

About 4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine

4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 4012037) has the molecular formula C15H10N2O2S and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID4012037
Molecular FormulaC15H10N2O2S
Molecular Weight282.32 g/mol
Exact Mass282.05
IUPAC Name4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1coc(CSc2ncnc3c2oc2ccccc23)c1
InChIInChI=1S/C15H10N2O2S/c1-2-6-12-11(5-1)13-14(19-12)15(17-9-16-13)20-8-10-4-3-7-18-10/h1-7,9H,8H2
InChIKeyKHEGXUXRYPXBGT-UHFFFAOYSA-N
XLogP4.26
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine (CID 4012037) is 4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine is c1coc(CSc2ncnc3c2oc2ccccc23)c1.
What is the InChIKey of 4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is KHEGXUXRYPXBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O2S/c1-2-6-12-11(5-1)13-14(19-12)15(17-9-16-13)20-8-10-4-3-7-18-10/h1-7,9H,8H2.
What are the key properties of 4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine?
4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 282.32 g/mol, XLogP of 4.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-ylmethylsulfanyl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 4012037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).