(2-thiophen-2-ylpyrimidin-4-yl)methanol

C9H8N2OS — CID 62747955

IUPAC(2-thiophen-2-ylpyrimidin-4-yl)methanol
SMILESOCc1ccnc(-c2cccs2)n1
InChIInChI=1S/C9H8N2OS/c12-6-7-3-4-10-9(11-7)8-2-1-5-13-8/h1-5,12H,6H2
InChIKeyTUIOEFYOQAKECH-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.70
Rot. Bonds2

About (2-thiophen-2-ylpyrimidin-4-yl)methanol

(2-thiophen-2-ylpyrimidin-4-yl)methanol (PubChem CID 62747955) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is (2-thiophen-2-ylpyrimidin-4-yl)methanol.

Molecular Properties

Compound Name(2-thiophen-2-ylpyrimidin-4-yl)methanol
PubChem CID62747955
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name(2-thiophen-2-ylpyrimidin-4-yl)methanol
SMILESOCc1ccnc(-c2cccs2)n1
InChIInChI=1S/C9H8N2OS/c12-6-7-3-4-10-9(11-7)8-2-1-5-13-8/h1-5,12H,6H2
InChIKeyTUIOEFYOQAKECH-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-2-ylpyrimidin-4-yl)methanol?
The IUPAC name of (2-thiophen-2-ylpyrimidin-4-yl)methanol (CID 62747955) is (2-thiophen-2-ylpyrimidin-4-yl)methanol.
What is the SMILES notation for (2-thiophen-2-ylpyrimidin-4-yl)methanol?
The canonical SMILES for (2-thiophen-2-ylpyrimidin-4-yl)methanol is OCc1ccnc(-c2cccs2)n1.
What is the InChIKey of (2-thiophen-2-ylpyrimidin-4-yl)methanol?
The InChIKey is TUIOEFYOQAKECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-6-7-3-4-10-9(11-7)8-2-1-5-13-8/h1-5,12H,6H2.
What are the key properties of (2-thiophen-2-ylpyrimidin-4-yl)methanol?
(2-thiophen-2-ylpyrimidin-4-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-2-ylpyrimidin-4-yl)methanol is sourced from PubChem (CID 62747955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).