2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one

C13H13N5OS — CID 3234005

IUPAC2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one
SMILESCN(C)c1ncc2nc(-c3cccs3)c(=O)n(C)c2n1
InChIInChI=1S/C13H13N5OS/c1-17(2)13-14-7-8-11(16-13)18(3)12(19)10(15-8)9-5-4-6-20-9/h4-7H,1-3H3
InChIKeyBVRGBIVAVYBKHB-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.52
Rot. Bonds2

About 2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one

2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3234005) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one
PubChem CID3234005
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one
SMILESCN(C)c1ncc2nc(-c3cccs3)c(=O)n(C)c2n1
InChIInChI=1S/C13H13N5OS/c1-17(2)13-14-7-8-11(16-13)18(3)12(19)10(15-8)9-5-4-6-20-9/h4-7H,1-3H3
InChIKeyBVRGBIVAVYBKHB-UHFFFAOYSA-N
XLogP1.52
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one (CID 3234005) is 2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one is CN(C)c1ncc2nc(-c3cccs3)c(=O)n(C)c2n1.
What is the InChIKey of 2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is BVRGBIVAVYBKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-17(2)13-14-7-8-11(16-13)18(3)12(19)10(15-8)9-5-4-6-20-9/h4-7H,1-3H3.
What are the key properties of 2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one?
2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 287.35 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3234005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).