3,6,7-trimethyl-2-methylsulfanylpteridin-4-one

C10H12N4OS — CID 822190

IUPAC3,6,7-trimethyl-2-methylsulfanylpteridin-4-one
SMILESCSc1nc2nc(C)c(C)nc2c(=O)n1C
InChIInChI=1S/C10H12N4OS/c1-5-6(2)12-8-7(11-5)9(15)14(3)10(13-8)16-4/h1-4H3
InChIKeyBIQMYFLCQYURON-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.06
Rot. Bonds1

About 3,6,7-trimethyl-2-methylsulfanylpteridin-4-one

3,6,7-trimethyl-2-methylsulfanylpteridin-4-one (PubChem CID 822190) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3,6,7-trimethyl-2-methylsulfanylpteridin-4-one.

Molecular Properties

Compound Name3,6,7-trimethyl-2-methylsulfanylpteridin-4-one
PubChem CID822190
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3,6,7-trimethyl-2-methylsulfanylpteridin-4-one
SMILESCSc1nc2nc(C)c(C)nc2c(=O)n1C
InChIInChI=1S/C10H12N4OS/c1-5-6(2)12-8-7(11-5)9(15)14(3)10(13-8)16-4/h1-4H3
InChIKeyBIQMYFLCQYURON-UHFFFAOYSA-N
XLogP1.06
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-2-methylsulfanylpteridin-4-one?
The IUPAC name of 3,6,7-trimethyl-2-methylsulfanylpteridin-4-one (CID 822190) is 3,6,7-trimethyl-2-methylsulfanylpteridin-4-one.
What is the SMILES notation for 3,6,7-trimethyl-2-methylsulfanylpteridin-4-one?
The canonical SMILES for 3,6,7-trimethyl-2-methylsulfanylpteridin-4-one is CSc1nc2nc(C)c(C)nc2c(=O)n1C.
What is the InChIKey of 3,6,7-trimethyl-2-methylsulfanylpteridin-4-one?
The InChIKey is BIQMYFLCQYURON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-5-6(2)12-8-7(11-5)9(15)14(3)10(13-8)16-4/h1-4H3.
What are the key properties of 3,6,7-trimethyl-2-methylsulfanylpteridin-4-one?
3,6,7-trimethyl-2-methylsulfanylpteridin-4-one has a molecular weight of 236.30 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-2-methylsulfanylpteridin-4-one is sourced from PubChem (CID 822190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).