pyrimidin-2-yl(thiophen-3-yl)methanone

C9H6N2OS — CID 65100047

IUPACpyrimidin-2-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)c1ncccn1
InChIInChI=1S/C9H6N2OS/c12-8(7-2-5-13-6-7)9-10-3-1-4-11-9/h1-6H
InChIKeyISVKWXOASQAZSL-UHFFFAOYSA-N
MW190.23 g/mol
LogP1.77
Rot. Bonds2

About pyrimidin-2-yl(thiophen-3-yl)methanone

pyrimidin-2-yl(thiophen-3-yl)methanone (PubChem CID 65100047) has the molecular formula C9H6N2OS and a molecular weight of 190.23 g/mol. Its IUPAC name is pyrimidin-2-yl(thiophen-3-yl)methanone.

Molecular Properties

Compound Namepyrimidin-2-yl(thiophen-3-yl)methanone
PubChem CID65100047
Molecular FormulaC9H6N2OS
Molecular Weight190.23 g/mol
Exact Mass190.02
IUPAC Namepyrimidin-2-yl(thiophen-3-yl)methanone
SMILESO=C(c1ccsc1)c1ncccn1
InChIInChI=1S/C9H6N2OS/c12-8(7-2-5-13-6-7)9-10-3-1-4-11-9/h1-6H
InChIKeyISVKWXOASQAZSL-UHFFFAOYSA-N
XLogP1.77
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.23
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of pyrimidin-2-yl(thiophen-3-yl)methanone?
The IUPAC name of pyrimidin-2-yl(thiophen-3-yl)methanone (CID 65100047) is pyrimidin-2-yl(thiophen-3-yl)methanone.
What is the SMILES notation for pyrimidin-2-yl(thiophen-3-yl)methanone?
The canonical SMILES for pyrimidin-2-yl(thiophen-3-yl)methanone is O=C(c1ccsc1)c1ncccn1.
What is the InChIKey of pyrimidin-2-yl(thiophen-3-yl)methanone?
The InChIKey is ISVKWXOASQAZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2OS/c12-8(7-2-5-13-6-7)9-10-3-1-4-11-9/h1-6H.
What are the key properties of pyrimidin-2-yl(thiophen-3-yl)methanone?
pyrimidin-2-yl(thiophen-3-yl)methanone has a molecular weight of 190.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-2-yl(thiophen-3-yl)methanone is sourced from PubChem (CID 65100047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).