3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

C14H9N3OS2 — CID 1279895

IUPAC3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3cccs3)csc2ncn1-n1cccc1
InChIInChI=1S/C14H9N3OS2/c18-14-12-10(11-4-3-7-19-11)8-20-13(12)15-9-17(14)16-5-1-2-6-16/h1-9H
InChIKeyABUALDWDAODOIP-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.30
Rot. Bonds2

About 3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one

3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 1279895) has the molecular formula C14H9N3OS2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID1279895
Molecular FormulaC14H9N3OS2
Molecular Weight299.38 g/mol
Exact Mass299.02
IUPAC Name3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2c(-c3cccs3)csc2ncn1-n1cccc1
InChIInChI=1S/C14H9N3OS2/c18-14-12-10(11-4-3-7-19-11)8-20-13(12)15-9-17(14)16-5-1-2-6-16/h1-9H
InChIKeyABUALDWDAODOIP-UHFFFAOYSA-N
XLogP3.30
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one (CID 1279895) is 3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is O=c1c2c(-c3cccs3)csc2ncn1-n1cccc1.
What is the InChIKey of 3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is ABUALDWDAODOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9N3OS2/c18-14-12-10(11-4-3-7-19-11)8-20-13(12)15-9-17(14)16-5-1-2-6-16/h1-9H.
What are the key properties of 3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one?
3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 299.38 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrol-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1279895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).