(4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol

C15H11ClN2OS — CID 56679454

IUPAC(4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cncnc1)c1cccs1
InChIInChI=1S/C15H11ClN2OS/c16-13-5-3-11(4-6-13)15(19,14-2-1-7-20-14)12-8-17-10-18-9-12/h1-10,19H
InChIKeyGHQYUMZPYFAPGL-UHFFFAOYSA-N
MW302.79 g/mol
LogP3.48
Rot. Bonds3

About (4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol

(4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol (PubChem CID 56679454) has the molecular formula C15H11ClN2OS and a molecular weight of 302.79 g/mol. Its IUPAC name is (4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol
PubChem CID56679454
Molecular FormulaC15H11ClN2OS
Molecular Weight302.79 g/mol
Exact Mass302.03
IUPAC Name(4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol
SMILESOC(c1ccc(Cl)cc1)(c1cncnc1)c1cccs1
InChIInChI=1S/C15H11ClN2OS/c16-13-5-3-11(4-6-13)15(19,14-2-1-7-20-14)12-8-17-10-18-9-12/h1-10,19H
InChIKeyGHQYUMZPYFAPGL-UHFFFAOYSA-N
XLogP3.48
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.79
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol?
The IUPAC name of (4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol (CID 56679454) is (4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol.
What is the SMILES notation for (4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol?
The canonical SMILES for (4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol is OC(c1ccc(Cl)cc1)(c1cncnc1)c1cccs1.
What is the InChIKey of (4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol?
The InChIKey is GHQYUMZPYFAPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2OS/c16-13-5-3-11(4-6-13)15(19,14-2-1-7-20-14)12-8-17-10-18-9-12/h1-10,19H.
What are the key properties of (4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol?
(4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol has a molecular weight of 302.79 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-pyrimidin-5-yl-thiophen-2-ylmethanol is sourced from PubChem (CID 56679454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).