2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

C10H9N3OS — CID 136941342

IUPAC2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccsc2)nc2c1CNC2
InChIInChI=1S/C10H9N3OS/c14-10-7-3-11-4-8(7)12-9(13-10)6-1-2-15-5-6/h1-2,5,11H,3-4H2,(H,12,13,14)
InChIKeyNQQQXGLTXICRJG-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.10
Rot. Bonds1

About 2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one

2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (PubChem CID 136941342) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
PubChem CID136941342
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccsc2)nc2c1CNC2
InChIInChI=1S/C10H9N3OS/c14-10-7-3-11-4-8(7)12-9(13-10)6-1-2-15-5-6/h1-2,5,11H,3-4H2,(H,12,13,14)
InChIKeyNQQQXGLTXICRJG-UHFFFAOYSA-N
XLogP1.10
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one (CID 136941342) is 2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is O=c1[nH]c(-c2ccsc2)nc2c1CNC2.
What is the InChIKey of 2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
The InChIKey is NQQQXGLTXICRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c14-10-7-3-11-4-8(7)12-9(13-10)6-1-2-15-5-6/h1-2,5,11H,3-4H2,(H,12,13,14).
What are the key properties of 2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one?
2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one has a molecular weight of 219.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-yl-3,5,6,7-tetrahydropyrrolo[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136941342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).