6-(2-Thienyl)-4(3H)-pyrimidinone - CAS 1105195-61-6
Catalog: |
BB002638 |
Product Name: |
6-(2-Thienyl)-4(3H)-pyrimidinone |
CAS: |
1105195-61-6 |
Synonyms: |
4-thiophen-2-yl-1H-pyrimidin-6-one; 4-thiophen-2-yl-1H-pyrimidin-6-one |
IUPAC Name: | 4-thiophen-2-yl-1H-pyrimidin-6-one |
Description: | 6-(2-Thienyl)-4(3H)-pyrimidinone (CAS# 1105195-61-6) is derived from the parent compound Pyrimidone which are used as building blocks for the preparation of many other biological molecules, such as metharbital. Also shown to be present in the GU "wobble" pair. |
Molecular Weight: | 178.21 |
Molecular Formula: | C8H6N2OS |
Canonical SMILES: | C1=CSC(=C1)C2=CC(=O)NC=N2 |
InChI: | InChI=1S/C8H6N2OS/c11-8-4-6(9-5-10-8)7-2-1-3-12-7/h1-5H,(H,9,10,11) |
InChI Key: | BDPBCAUQPGNSHX-UHFFFAOYSA-N |
Complexity: | 260 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 178.02008399 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 178.02008399 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 69.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.6 |
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