1,6,7-trimethyl-2-sulfanylidenepteridin-4-one

C9H10N4OS — CID 822308

IUPAC1,6,7-trimethyl-2-sulfanylidenepteridin-4-one
SMILESCc1nc2c(=O)[nH]c(=S)n(C)c2nc1C
InChIInChI=1S/C9H10N4OS/c1-4-5(2)11-7-6(10-4)8(14)12-9(15)13(7)3/h1-3H3,(H,12,14,15)
InChIKeyRWNSYATVVIYQDJ-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.00
Rot. Bonds

About 1,6,7-trimethyl-2-sulfanylidenepteridin-4-one

1,6,7-trimethyl-2-sulfanylidenepteridin-4-one (PubChem CID 822308) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 1,6,7-trimethyl-2-sulfanylidenepteridin-4-one.

Molecular Properties

Compound Name1,6,7-trimethyl-2-sulfanylidenepteridin-4-one
PubChem CID822308
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name1,6,7-trimethyl-2-sulfanylidenepteridin-4-one
SMILESCc1nc2c(=O)[nH]c(=S)n(C)c2nc1C
InChIInChI=1S/C9H10N4OS/c1-4-5(2)11-7-6(10-4)8(14)12-9(15)13(7)3/h1-3H3,(H,12,14,15)
InChIKeyRWNSYATVVIYQDJ-UHFFFAOYSA-N
XLogP1.00
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1,6,7-trimethyl-2-sulfanylidenepteridin-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

Related Compounds

6,7-Dimethyl-4-hydroxy-2-mercaptopteridine
CID 5355833
6,7-Dimethylpterin
CID 135399180
6,7-Dimethyl-1H-pteridin-4-one
CID 135422471
3,6,7-trimethyl-2-thioxo-2,3-dihydro-4(1H)-pteridinone
CID 5409408
2,4(1H,3H)-Pteridinedione, 6,7-dimethyl-
CID 5355834
2,4(1H,3H)-Pteridinedione, 1,6,7-trimethyl-
CID 822193
1,3,6,7-Tetramethylpteridine-2,4(1h,3h)-dione
CID 236279
Pteridine, 2-amino-3,4-dihydro-3,6,7-trimethyl-4-oxo-
CID 13027744
5,6-Dimethyl-3-(methylamino)pyrazine-2-carboxamide
CID 23422088
Pteridine, 2-amino-1,4-dihydro-1,6,7-trimethyl-4-oxo-
CID 130016632
Pteridine, 1,4-dihydro-1,6,7-trimethyl-4-oxo-
CID 171383884
Pteridine, 4-hydroxy-6,7-dimethyl-2-methylamino-
CID 171384554

Frequently Asked Questions

What is the IUPAC name of 1,6,7-trimethyl-2-sulfanylidenepteridin-4-one?
The IUPAC name of 1,6,7-trimethyl-2-sulfanylidenepteridin-4-one (CID 822308) is 1,6,7-trimethyl-2-sulfanylidenepteridin-4-one.
What is the SMILES notation for 1,6,7-trimethyl-2-sulfanylidenepteridin-4-one?
The canonical SMILES for 1,6,7-trimethyl-2-sulfanylidenepteridin-4-one is Cc1nc2c(=O)[nH]c(=S)n(C)c2nc1C.
What is the InChIKey of 1,6,7-trimethyl-2-sulfanylidenepteridin-4-one?
The InChIKey is RWNSYATVVIYQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-4-5(2)11-7-6(10-4)8(14)12-9(15)13(7)3/h1-3H3,(H,12,14,15).
What are the key properties of 1,6,7-trimethyl-2-sulfanylidenepteridin-4-one?
1,6,7-trimethyl-2-sulfanylidenepteridin-4-one has a molecular weight of 222.27 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6,7-trimethyl-2-sulfanylidenepteridin-4-one is sourced from PubChem (CID 822308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).