(2-thiophen-3-ylpyrimidin-5-yl)methanol

C9H8N2OS — CID 24903657

IUPAC(2-thiophen-3-ylpyrimidin-5-yl)methanol
SMILESOCc1cnc(-c2ccsc2)nc1
InChIInChI=1S/C9H8N2OS/c12-5-7-3-10-9(11-4-7)8-1-2-13-6-8/h1-4,6,12H,5H2
InChIKeyAICPWFNKLYYPBX-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.70
Rot. Bonds2

About (2-thiophen-3-ylpyrimidin-5-yl)methanol

(2-thiophen-3-ylpyrimidin-5-yl)methanol (PubChem CID 24903657) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is (2-thiophen-3-ylpyrimidin-5-yl)methanol.

Molecular Properties

Compound Name(2-thiophen-3-ylpyrimidin-5-yl)methanol
PubChem CID24903657
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name(2-thiophen-3-ylpyrimidin-5-yl)methanol
SMILESOCc1cnc(-c2ccsc2)nc1
InChIInChI=1S/C9H8N2OS/c12-5-7-3-10-9(11-4-7)8-1-2-13-6-8/h1-4,6,12H,5H2
InChIKeyAICPWFNKLYYPBX-UHFFFAOYSA-N
XLogP1.70
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-thiophen-3-ylpyrimidin-5-yl)methanol?
The IUPAC name of (2-thiophen-3-ylpyrimidin-5-yl)methanol (CID 24903657) is (2-thiophen-3-ylpyrimidin-5-yl)methanol.
What is the SMILES notation for (2-thiophen-3-ylpyrimidin-5-yl)methanol?
The canonical SMILES for (2-thiophen-3-ylpyrimidin-5-yl)methanol is OCc1cnc(-c2ccsc2)nc1.
What is the InChIKey of (2-thiophen-3-ylpyrimidin-5-yl)methanol?
The InChIKey is AICPWFNKLYYPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-5-7-3-10-9(11-4-7)8-1-2-13-6-8/h1-4,6,12H,5H2.
What are the key properties of (2-thiophen-3-ylpyrimidin-5-yl)methanol?
(2-thiophen-3-ylpyrimidin-5-yl)methanol has a molecular weight of 192.24 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-3-ylpyrimidin-5-yl)methanol is sourced from PubChem (CID 24903657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).