6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one

C16H11N3OS — CID 706035

IUPAC6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2cc(-c3ccccc3)sc2ncn1-n1cccc1
InChIInChI=1S/C16H11N3OS/c20-16-13-10-14(12-6-2-1-3-7-12)21-15(13)17-11-19(16)18-8-4-5-9-18/h1-11H
InChIKeyPJGDGLAAODVDOI-UHFFFAOYSA-N
MW293.35 g/mol
LogP3.24
Rot. Bonds2

About 6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one

6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one (PubChem CID 706035) has the molecular formula C16H11N3OS and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
PubChem CID706035
Molecular FormulaC16H11N3OS
Molecular Weight293.35 g/mol
Exact Mass293.06
IUPAC Name6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one
SMILESO=c1c2cc(-c3ccccc3)sc2ncn1-n1cccc1
InChIInChI=1S/C16H11N3OS/c20-16-13-10-14(12-6-2-1-3-7-12)21-15(13)17-11-19(16)18-8-4-5-9-18/h1-11H
InChIKeyPJGDGLAAODVDOI-UHFFFAOYSA-N
XLogP3.24
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one (CID 706035) is 6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one is O=c1c2cc(-c3ccccc3)sc2ncn1-n1cccc1.
What is the InChIKey of 6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is PJGDGLAAODVDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N3OS/c20-16-13-10-14(12-6-2-1-3-7-12)21-15(13)17-11-19(16)18-8-4-5-9-18/h1-11H.
What are the key properties of 6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one?
6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 293.35 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-3-pyrrol-1-ylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 706035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).