5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one

C18H15N3O3S — CID 5065326

IUPAC5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3ncn(-n4cccc4)c(=O)c23)cc1OC
InChIInChI=1S/C18H15N3O3S/c1-23-14-6-5-12(9-15(14)24-2)13-10-25-17-16(13)18(22)21(11-19-17)20-7-3-4-8-20/h3-11H,1-2H3
InChIKeyFOYKGSPBDSOUFY-UHFFFAOYSA-N
MW353.40 g/mol
LogP3.26
Rot. Bonds4

About 5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one

5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 5065326) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID5065326
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3ncn(-n4cccc4)c(=O)c23)cc1OC
InChIInChI=1S/C18H15N3O3S/c1-23-14-6-5-12(9-15(14)24-2)13-10-25-17-16(13)18(22)21(11-19-17)20-7-3-4-8-20/h3-11H,1-2H3
InChIKeyFOYKGSPBDSOUFY-UHFFFAOYSA-N
XLogP3.26
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one (CID 5065326) is 5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one is COc1ccc(-c2csc3ncn(-n4cccc4)c(=O)c23)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is FOYKGSPBDSOUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-23-14-6-5-12(9-15(14)24-2)13-10-25-17-16(13)18(22)21(11-19-17)20-7-3-4-8-20/h3-11H,1-2H3.
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 353.40 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 5065326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).