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

C15H15N5OS — CID 3234164

IUPAC8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one
SMILESCN(C)c1ncc2nc(-c3cccs3)c(=O)n(C3CC3)c2n1
InChIInChI=1S/C15H15N5OS/c1-19(2)15-16-8-10-13(18-15)20(9-5-6-9)14(21)12(17-10)11-4-3-7-22-11/h3-4,7-9H,5-6H2,1-2H3
InChIKeyXYXSSTKFAOJYTM-UHFFFAOYSA-N
MW313.39 g/mol
LogP2.32
Rot. Bonds3

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

8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one (PubChem CID 3234164) has the molecular formula C15H15N5OS and a molecular weight of 313.39 g/mol. Its IUPAC name is 8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one
PubChem CID3234164
Molecular FormulaC15H15N5OS
Molecular Weight313.39 g/mol
Exact Mass313.10
IUPAC Name8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one
SMILESCN(C)c1ncc2nc(-c3cccs3)c(=O)n(C3CC3)c2n1
InChIInChI=1S/C15H15N5OS/c1-19(2)15-16-8-10-13(18-15)20(9-5-6-9)14(21)12(17-10)11-4-3-7-22-11/h3-4,7-9H,5-6H2,1-2H3
InChIKeyXYXSSTKFAOJYTM-UHFFFAOYSA-N
XLogP2.32
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one (CID 3234164) is 8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one is CN(C)c1ncc2nc(-c3cccs3)c(=O)n(C3CC3)c2n1.
What is the InChIKey of 8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one?
The InChIKey is XYXSSTKFAOJYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5OS/c1-19(2)15-16-8-10-13(18-15)20(9-5-6-9)14(21)12(17-10)11-4-3-7-22-11/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one?
8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one has a molecular weight of 313.39 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopropyl-2-(dimethylamino)-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3234164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).