4-methylsulfanylpyrido[4,3-d]pyrimidine

C8H7N3S — CID 10654887

IUPAC4-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1ncnc2ccncc12
InChIInChI=1S/C8H7N3S/c1-12-8-6-4-9-3-2-7(6)10-5-11-8/h2-5H,1H3
InChIKeyULGBAIOVFRNITO-UHFFFAOYSA-N
MW177.23 g/mol
LogP1.75
Rot. Bonds1

About 4-methylsulfanylpyrido[4,3-d]pyrimidine

4-methylsulfanylpyrido[4,3-d]pyrimidine (PubChem CID 10654887) has the molecular formula C8H7N3S and a molecular weight of 177.23 g/mol. Its IUPAC name is 4-methylsulfanylpyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-methylsulfanylpyrido[4,3-d]pyrimidine
PubChem CID10654887
Molecular FormulaC8H7N3S
Molecular Weight177.23 g/mol
Exact Mass177.04
IUPAC Name4-methylsulfanylpyrido[4,3-d]pyrimidine
SMILESCSc1ncnc2ccncc12
InChIInChI=1S/C8H7N3S/c1-12-8-6-4-9-3-2-7(6)10-5-11-8/h2-5H,1H3
InChIKeyULGBAIOVFRNITO-UHFFFAOYSA-N
XLogP1.75
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.23
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-methylsulfanylpyrido[4,3-d]pyrimidine 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 4-methylsulfanylpyrido[4,3-d]pyrimidine?
The IUPAC name of 4-methylsulfanylpyrido[4,3-d]pyrimidine (CID 10654887) is 4-methylsulfanylpyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-methylsulfanylpyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-methylsulfanylpyrido[4,3-d]pyrimidine is CSc1ncnc2ccncc12.
What is the InChIKey of 4-methylsulfanylpyrido[4,3-d]pyrimidine?
The InChIKey is ULGBAIOVFRNITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3S/c1-12-8-6-4-9-3-2-7(6)10-5-11-8/h2-5H,1H3.
What are the key properties of 4-methylsulfanylpyrido[4,3-d]pyrimidine?
4-methylsulfanylpyrido[4,3-d]pyrimidine has a molecular weight of 177.23 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylsulfanylpyrido[4,3-d]pyrimidine is sourced from PubChem (CID 10654887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).