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

C13H13N5OS — CID 3234227

IUPAC2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(C)c2n1
InChIInChI=1S/C13H13N5OS/c1-3-14-13-15-7-8-11(17-13)18(2)12(19)10(16-8)9-5-4-6-20-9/h4-7H,3H2,1-2H3,(H,14,15,17)
InChIKeyPJVPQISNRKUQRB-UHFFFAOYSA-N
MW287.35 g/mol
LogP1.88
Rot. Bonds3

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

2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one (PubChem CID 3234227) has the molecular formula C13H13N5OS and a molecular weight of 287.35 g/mol. Its IUPAC name is 2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one
PubChem CID3234227
Molecular FormulaC13H13N5OS
Molecular Weight287.35 g/mol
Exact Mass287.08
IUPAC Name2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(C)c2n1
InChIInChI=1S/C13H13N5OS/c1-3-14-13-15-7-8-11(17-13)18(2)12(19)10(16-8)9-5-4-6-20-9/h4-7H,3H2,1-2H3,(H,14,15,17)
InChIKeyPJVPQISNRKUQRB-UHFFFAOYSA-N
XLogP1.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one (CID 3234227) is 2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one is CCNc1ncc2nc(-c3cccs3)c(=O)n(C)c2n1.
What is the InChIKey of 2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one?
The InChIKey is PJVPQISNRKUQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5OS/c1-3-14-13-15-7-8-11(17-13)18(2)12(19)10(16-8)9-5-4-6-20-9/h4-7H,3H2,1-2H3,(H,14,15,17).
What are the key properties of 2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one?
2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one has a molecular weight of 287.35 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-methyl-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3234227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).