6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one

C9H10N4OS — CID 135408968

IUPAC6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one
SMILESCSc1nc2nc(C)c(C)nc2c(=O)[nH]1
InChIInChI=1S/C9H10N4OS/c1-4-5(2)11-7-6(10-4)8(14)13-9(12-7)15-3/h1-3H3,(H,11,12,13,14)
InChIKeySGBPOWRTGPTLQG-UHFFFAOYSA-N
MW222.27 g/mol
LogP1.05
Rot. Bonds1

About 6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one

6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one (PubChem CID 135408968) has the molecular formula C9H10N4OS and a molecular weight of 222.27 g/mol. Its IUPAC name is 6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one.

Molecular Properties

Compound Name6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one
PubChem CID135408968
Molecular FormulaC9H10N4OS
Molecular Weight222.27 g/mol
Exact Mass222.06
IUPAC Name6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one
SMILESCSc1nc2nc(C)c(C)nc2c(=O)[nH]1
InChIInChI=1S/C9H10N4OS/c1-4-5(2)11-7-6(10-4)8(14)13-9(12-7)15-3/h1-3H3,(H,11,12,13,14)
InChIKeySGBPOWRTGPTLQG-UHFFFAOYSA-N
XLogP1.05
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6,7-dimethyl-2-methylsulfanyl-3H-pteridin-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
2,4(1H,3H)-Pteridinedione, 6,7-dimethyl-
CID 5355834
2,3-Dimethyl-7,8-dihydro-10H-(1,3)thiazolo(2,3-b)pteridin-10-one
CID 325532
2,3-Dimethyl-8,9-dihydro-7H,11H-[1,3]thiazino[2,3-b]pteridin-11-one
CID 325533
Pteridine, 2-amino-3,4-dihydro-3,6,7-trimethyl-4-oxo-
CID 13027744
Pteridine, 3,4-dihydro-3,6,7-trimethyl-4-oxo-
CID 15563347
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 6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one?
The IUPAC name of 6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one (CID 135408968) is 6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one.
What is the SMILES notation for 6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one?
The canonical SMILES for 6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one is CSc1nc2nc(C)c(C)nc2c(=O)[nH]1.
What is the InChIKey of 6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one?
The InChIKey is SGBPOWRTGPTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4OS/c1-4-5(2)11-7-6(10-4)8(14)13-9(12-7)15-3/h1-3H3,(H,11,12,13,14).
What are the key properties of 6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one?
6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one has a molecular weight of 222.27 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-methylsulfanyl-3H-pteridin-4-one is sourced from PubChem (CID 135408968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).