5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one

C11H9N3OS — CID 141280190

IUPAC5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cn(-c2cccs2)c2nc[nH]c(=O)c12
InChIInChI=1S/C11H9N3OS/c1-7-5-14(8-3-2-4-16-8)10-9(7)11(15)13-6-12-10/h2-6H,1H3,(H,12,13,15)
InChIKeyGUPHKPGNJPDXJD-UHFFFAOYSA-N
MW231.28 g/mol
LogP2.08
Rot. Bonds1

About 5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one

5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 141280190) has the molecular formula C11H9N3OS and a molecular weight of 231.28 g/mol. Its IUPAC name is 5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID141280190
Molecular FormulaC11H9N3OS
Molecular Weight231.28 g/mol
Exact Mass231.05
IUPAC Name5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESCc1cn(-c2cccs2)c2nc[nH]c(=O)c12
InChIInChI=1S/C11H9N3OS/c1-7-5-14(8-3-2-4-16-8)10-9(7)11(15)13-6-12-10/h2-6H,1H3,(H,12,13,15)
InChIKeyGUPHKPGNJPDXJD-UHFFFAOYSA-N
XLogP2.08
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 141280190) is 5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one is Cc1cn(-c2cccs2)c2nc[nH]c(=O)c12.
What is the InChIKey of 5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is GUPHKPGNJPDXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3OS/c1-7-5-14(8-3-2-4-16-8)10-9(7)11(15)13-6-12-10/h2-6H,1H3,(H,12,13,15).
What are the key properties of 5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one?
5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 231.28 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-thiophen-2-yl-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 141280190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).