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

C20H19N5OS — CID 3233413

IUPAC2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C20H19N5OS/c1-2-21-20-22-13-15-18(24-20)25(11-10-14-7-4-3-5-8-14)19(26)17(23-15)16-9-6-12-27-16/h3-9,12-13H,2,10-11H2,1H3,(H,21,22,24)
InChIKeyGIAMVRDVQAQVCG-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.59
Rot. Bonds6

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

2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233413) has the molecular formula C20H19N5OS and a molecular weight of 377.47 g/mol. Its IUPAC name is 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one
PubChem CID3233413
Molecular FormulaC20H19N5OS
Molecular Weight377.47 g/mol
Exact Mass377.13
IUPAC Name2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one
SMILESCCNc1ncc2nc(-c3cccs3)c(=O)n(CCc3ccccc3)c2n1
InChIInChI=1S/C20H19N5OS/c1-2-21-20-22-13-15-18(24-20)25(11-10-14-7-4-3-5-8-14)19(26)17(23-15)16-9-6-12-27-16/h3-9,12-13H,2,10-11H2,1H3,(H,21,22,24)
InChIKeyGIAMVRDVQAQVCG-UHFFFAOYSA-N
XLogP3.59
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one (CID 3233413) is 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one is CCNc1ncc2nc(-c3cccs3)c(=O)n(CCc3ccccc3)c2n1.
What is the InChIKey of 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one?
The InChIKey is GIAMVRDVQAQVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5OS/c1-2-21-20-22-13-15-18(24-20)25(11-10-14-7-4-3-5-8-14)19(26)17(23-15)16-9-6-12-27-16/h3-9,12-13H,2,10-11H2,1H3,(H,21,22,24).
What are the key properties of 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one?
2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one has a molecular weight of 377.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-8-(2-phenylethyl)-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).