8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one

C13H12N4O2S — CID 3233067

IUPAC8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2cccs2)nc2cncnc21
InChIInChI=1S/C13H12N4O2S/c1-19-5-4-17-12-9(7-14-8-15-12)16-11(13(17)18)10-3-2-6-20-10/h2-3,6-8H,4-5H2,1H3
InChIKeyVWUHZZSWHPALHZ-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.56
Rot. Bonds4

About 8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one

8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one (PubChem CID 3233067) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
PubChem CID3233067
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2cccs2)nc2cncnc21
InChIInChI=1S/C13H12N4O2S/c1-19-5-4-17-12-9(7-14-8-15-12)16-11(13(17)18)10-3-2-6-20-10/h2-3,6-8H,4-5H2,1H3
InChIKeyVWUHZZSWHPALHZ-UHFFFAOYSA-N
XLogP1.56
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one (CID 3233067) is 8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one is COCCn1c(=O)c(-c2cccs2)nc2cncnc21.
What is the InChIKey of 8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one?
The InChIKey is VWUHZZSWHPALHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c1-19-5-4-17-12-9(7-14-8-15-12)16-11(13(17)18)10-3-2-6-20-10/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one?
8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one has a molecular weight of 288.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3233067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).