6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine

C14H12N2OS — CID 21039980

IUPAC6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine
SMILESCSc1ncc2cc(Cc3ccccc3)oc2n1
InChIInChI=1S/C14H12N2OS/c1-18-14-15-9-11-8-12(17-13(11)16-14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyMCTNRMZDDWMUHN-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.54
Rot. Bonds3

About 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine

6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine (PubChem CID 21039980) has the molecular formula C14H12N2OS and a molecular weight of 256.33 g/mol. Its IUPAC name is 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine
PubChem CID21039980
Molecular FormulaC14H12N2OS
Molecular Weight256.33 g/mol
Exact Mass256.07
IUPAC Name6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine
SMILESCSc1ncc2cc(Cc3ccccc3)oc2n1
InChIInChI=1S/C14H12N2OS/c1-18-14-15-9-11-8-12(17-13(11)16-14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyMCTNRMZDDWMUHN-UHFFFAOYSA-N
XLogP3.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine?
The IUPAC name of 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine (CID 21039980) is 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine.
What is the SMILES notation for 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine?
The canonical SMILES for 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine is CSc1ncc2cc(Cc3ccccc3)oc2n1.
What is the InChIKey of 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine?
The InChIKey is MCTNRMZDDWMUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2OS/c1-18-14-15-9-11-8-12(17-13(11)16-14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3.
What are the key properties of 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine?
6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine has a molecular weight of 256.33 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-2-methylsulfanylfuro[2,3-d]pyrimidine is sourced from PubChem (CID 21039980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).