1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol

C12H13N3OS — CID 126848882

IUPAC1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2cc(-c3cccs3)ncn2)C1
InChIInChI=1S/C12H13N3OS/c16-9-3-4-15(7-9)12-6-10(13-8-14-12)11-2-1-5-17-11/h1-2,5-6,8-9,16H,3-4,7H2
InChIKeyUOOJEMXLGSIIQA-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.78
Rot. Bonds2

About 1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol

1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 126848882) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID126848882
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC Name1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESOC1CCN(c2cc(-c3cccs3)ncn2)C1
InChIInChI=1S/C12H13N3OS/c16-9-3-4-15(7-9)12-6-10(13-8-14-12)11-2-1-5-17-11/h1-2,5-6,8-9,16H,3-4,7H2
InChIKeyUOOJEMXLGSIIQA-UHFFFAOYSA-N
XLogP1.78
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 126848882) is 1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol is OC1CCN(c2cc(-c3cccs3)ncn2)C1.
What is the InChIKey of 1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is UOOJEMXLGSIIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c16-9-3-4-15(7-9)12-6-10(13-8-14-12)11-2-1-5-17-11/h1-2,5-6,8-9,16H,3-4,7H2.
What are the key properties of 1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol?
1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 247.32 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-thiophen-2-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 126848882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).