2-methylsulfanylpteridine

C7H6N4S — CID 824621

IUPAC2-methylsulfanylpteridine
SMILESCSc1ncc2nccnc2n1
InChIInChI=1S/C7H6N4S/c1-12-7-10-4-5-6(11-7)9-3-2-8-5/h2-4H,1H3
InChIKeyLNTLWEUAGAFRJR-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.14
Rot. Bonds1

About 2-methylsulfanylpteridine

2-methylsulfanylpteridine (PubChem CID 824621) has the molecular formula C7H6N4S and a molecular weight of 178.22 g/mol. Its IUPAC name is 2-methylsulfanylpteridine.

Molecular Properties

Compound Name2-methylsulfanylpteridine
PubChem CID824621
Molecular FormulaC7H6N4S
Molecular Weight178.22 g/mol
Exact Mass178.03
IUPAC Name2-methylsulfanylpteridine
SMILESCSc1ncc2nccnc2n1
InChIInChI=1S/C7H6N4S/c1-12-7-10-4-5-6(11-7)9-3-2-8-5/h2-4H,1H3
InChIKeyLNTLWEUAGAFRJR-UHFFFAOYSA-N
XLogP1.14
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methylsulfanylpteridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpteridine?
The IUPAC name of 2-methylsulfanylpteridine (CID 824621) is 2-methylsulfanylpteridine.
What is the SMILES notation for 2-methylsulfanylpteridine?
The canonical SMILES for 2-methylsulfanylpteridine is CSc1ncc2nccnc2n1.
What is the InChIKey of 2-methylsulfanylpteridine?
The InChIKey is LNTLWEUAGAFRJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4S/c1-12-7-10-4-5-6(11-7)9-3-2-8-5/h2-4H,1H3.
What are the key properties of 2-methylsulfanylpteridine?
2-methylsulfanylpteridine has a molecular weight of 178.22 g/mol, XLogP of 1.14, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpteridine is sourced from PubChem (CID 824621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).