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

C8H8N2OS — CID 21039988

IUPAC6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine
SMILESCSc1ncc2cc(C)oc2n1
InChIInChI=1S/C8H8N2OS/c1-5-3-6-4-9-8(12-2)10-7(6)11-5/h3-4H,1-2H3
InChIKeyQBEJOKQCSFKSNE-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.25
Rot. Bonds1

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

6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine (PubChem CID 21039988) has the molecular formula C8H8N2OS and a molecular weight of 180.23 g/mol. Its IUPAC name is 6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine
PubChem CID21039988
Molecular FormulaC8H8N2OS
Molecular Weight180.23 g/mol
Exact Mass180.04
IUPAC Name6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine
SMILESCSc1ncc2cc(C)oc2n1
InChIInChI=1S/C8H8N2OS/c1-5-3-6-4-9-8(12-2)10-7(6)11-5/h3-4H,1-2H3
InChIKeyQBEJOKQCSFKSNE-UHFFFAOYSA-N
XLogP2.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine?
The IUPAC name of 6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine (CID 21039988) is 6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine.
What is the SMILES notation for 6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine?
The canonical SMILES for 6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine is CSc1ncc2cc(C)oc2n1.
What is the InChIKey of 6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine?
The InChIKey is QBEJOKQCSFKSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2OS/c1-5-3-6-4-9-8(12-2)10-7(6)11-5/h3-4H,1-2H3.
What are the key properties of 6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine?
6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine has a molecular weight of 180.23 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylsulfanylfuro[2,3-d]pyrimidine is sourced from PubChem (CID 21039988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).