8-methyl-6-thiophen-2-ylpteridin-7-one

C11H8N4OS — CID 3233492

IUPAC8-methyl-6-thiophen-2-ylpteridin-7-one
SMILESCn1c(=O)c(-c2cccs2)nc2cncnc21
InChIInChI=1S/C11H8N4OS/c1-15-10-7(5-12-6-13-10)14-9(11(15)16)8-3-2-4-17-8/h2-6H,1H3
InChIKeyXVSQXSBYADUIGQ-UHFFFAOYSA-N
MW244.28 g/mol
LogP1.45
Rot. Bonds1

About 8-methyl-6-thiophen-2-ylpteridin-7-one

8-methyl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233492) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 8-methyl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-methyl-6-thiophen-2-ylpteridin-7-one
PubChem CID3233492
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name8-methyl-6-thiophen-2-ylpteridin-7-one
SMILESCn1c(=O)c(-c2cccs2)nc2cncnc21
InChIInChI=1S/C11H8N4OS/c1-15-10-7(5-12-6-13-10)14-9(11(15)16)8-3-2-4-17-8/h2-6H,1H3
InChIKeyXVSQXSBYADUIGQ-UHFFFAOYSA-N
XLogP1.45
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-methyl-6-thiophen-2-ylpteridin-7-one (CID 3233492) is 8-methyl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-methyl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-methyl-6-thiophen-2-ylpteridin-7-one is Cn1c(=O)c(-c2cccs2)nc2cncnc21.
What is the InChIKey of 8-methyl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is XVSQXSBYADUIGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c1-15-10-7(5-12-6-13-10)14-9(11(15)16)8-3-2-4-17-8/h2-6H,1H3.
What are the key properties of 8-methyl-6-thiophen-2-ylpteridin-7-one?
8-methyl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 244.28 g/mol, XLogP of 1.45, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).