4-thiophen-2-yl-1H-pyrimidin-6-one

C8H6N2OS — CID 135876284

IUPAC4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccs2)nc[nH]1
InChIInChI=1S/C8H6N2OS/c11-8-4-6(9-5-10-8)7-2-1-3-12-7/h1-5H,(H,9,10,11)
InChIKeyBDPBCAUQPGNSHX-UHFFFAOYSA-N
MW178.22 g/mol
LogP1.50
Rot. Bonds1

About 4-thiophen-2-yl-1H-pyrimidin-6-one

4-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 135876284) has the molecular formula C8H6N2OS and a molecular weight of 178.22 g/mol. Its IUPAC name is 4-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID135876284
Molecular FormulaC8H6N2OS
Molecular Weight178.22 g/mol
Exact Mass178.02
IUPAC Name4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESO=c1cc(-c2cccs2)nc[nH]1
InChIInChI=1S/C8H6N2OS/c11-8-4-6(9-5-10-8)7-2-1-3-12-7/h1-5H,(H,9,10,11)
InChIKeyBDPBCAUQPGNSHX-UHFFFAOYSA-N
XLogP1.50
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-thiophen-2-yl-1H-pyrimidin-6-one (CID 135876284) is 4-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-thiophen-2-yl-1H-pyrimidin-6-one is O=c1cc(-c2cccs2)nc[nH]1.
What is the InChIKey of 4-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is BDPBCAUQPGNSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2OS/c11-8-4-6(9-5-10-8)7-2-1-3-12-7/h1-5H,(H,9,10,11).
What are the key properties of 4-thiophen-2-yl-1H-pyrimidin-6-one?
4-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 178.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135876284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).