3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one

C8H12N4OS — CID 14607518

IUPAC3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one
SMILESCSc1nc2c(c(=O)n1C)NCCN2
InChIInChI=1S/C8H12N4OS/c1-12-7(13)5-6(10-4-3-9-5)11-8(12)14-2/h9-10H,3-4H2,1-2H3
InChIKeyZMGNSTDSFBIZPT-UHFFFAOYSA-N
MW212.28 g/mol
LogP0.34
Rot. Bonds1

About 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one

3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one (PubChem CID 14607518) has the molecular formula C8H12N4OS and a molecular weight of 212.28 g/mol. Its IUPAC name is 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one.

Molecular Properties

Compound Name3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one
PubChem CID14607518
Molecular FormulaC8H12N4OS
Molecular Weight212.28 g/mol
Exact Mass212.07
IUPAC Name3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one
SMILESCSc1nc2c(c(=O)n1C)NCCN2
InChIInChI=1S/C8H12N4OS/c1-12-7(13)5-6(10-4-3-9-5)11-8(12)14-2/h9-10H,3-4H2,1-2H3
InChIKeyZMGNSTDSFBIZPT-UHFFFAOYSA-N
XLogP0.34
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.28
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one 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 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one?
The IUPAC name of 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one (CID 14607518) is 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one.
What is the SMILES notation for 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one?
The canonical SMILES for 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one is CSc1nc2c(c(=O)n1C)NCCN2.
What is the InChIKey of 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one?
The InChIKey is ZMGNSTDSFBIZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4OS/c1-12-7(13)5-6(10-4-3-9-5)11-8(12)14-2/h9-10H,3-4H2,1-2H3.
What are the key properties of 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one?
3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one has a molecular weight of 212.28 g/mol, XLogP of 0.34, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylsulfanyl-5,6,7,8-tetrahydropteridin-4-one is sourced from PubChem (CID 14607518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).