8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one

C20H18N4O4S — CID 3234399

IUPAC8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3ccc(OC)cc3)nc21
InChIInChI=1S/C20H18N4O4S/c1-26-10-9-24-18-15(22-17(19(24)25)16-4-3-11-29-16)12-21-20(23-18)28-14-7-5-13(27-2)6-8-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyMFWPKJLBHKRMKA-UHFFFAOYSA-N
MW410.46 g/mol
LogP3.36
Rot. Bonds7

About 8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one

8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one (PubChem CID 3234399) has the molecular formula C20H18N4O4S and a molecular weight of 410.46 g/mol. Its IUPAC name is 8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one.

Molecular Properties

Compound Name8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one
PubChem CID3234399
Molecular FormulaC20H18N4O4S
Molecular Weight410.46 g/mol
Exact Mass410.10
IUPAC Name8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one
SMILESCOCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3ccc(OC)cc3)nc21
InChIInChI=1S/C20H18N4O4S/c1-26-10-9-24-18-15(22-17(19(24)25)16-4-3-11-29-16)12-21-20(23-18)28-14-7-5-13(27-2)6-8-14/h3-8,11-12H,9-10H2,1-2H3
InChIKeyMFWPKJLBHKRMKA-UHFFFAOYSA-N
XLogP3.36
TPSA88.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.46
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one?
The IUPAC name of 8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one (CID 3234399) is 8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one.
What is the SMILES notation for 8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one?
The canonical SMILES for 8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one is COCCn1c(=O)c(-c2cccs2)nc2cnc(Oc3ccc(OC)cc3)nc21.
What is the InChIKey of 8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one?
The InChIKey is MFWPKJLBHKRMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4S/c1-26-10-9-24-18-15(22-17(19(24)25)16-4-3-11-29-16)12-21-20(23-18)28-14-7-5-13(27-2)6-8-14/h3-8,11-12H,9-10H2,1-2H3.
What are the key properties of 8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one?
8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one has a molecular weight of 410.46 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methoxyethyl)-2-(4-methoxyphenoxy)-6-thiophen-2-ylpteridin-7-one is sourced from PubChem (CID 3234399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).