6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one

C14H10N2OS — CID 68897115

IUPAC6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2ccsc2-c2ccccc2)[nH]1
InChIInChI=1S/C14H10N2OS/c17-14-15-8-6-12(16-14)11-7-9-18-13(11)10-4-2-1-3-5-10/h1-9H,(H,15,16,17)
InChIKeyDIQUMIQKSIRKOC-UHFFFAOYSA-N
MW254.31 g/mol
LogP3.17
Rot. Bonds2

About 6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one

6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one (PubChem CID 68897115) has the molecular formula C14H10N2OS and a molecular weight of 254.31 g/mol. Its IUPAC name is 6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one
PubChem CID68897115
Molecular FormulaC14H10N2OS
Molecular Weight254.31 g/mol
Exact Mass254.05
IUPAC Name6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one
SMILESO=c1nccc(-c2ccsc2-c2ccccc2)[nH]1
InChIInChI=1S/C14H10N2OS/c17-14-15-8-6-12(16-14)11-7-9-18-13(11)10-4-2-1-3-5-10/h1-9H,(H,15,16,17)
InChIKeyDIQUMIQKSIRKOC-UHFFFAOYSA-N
XLogP3.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one?
The IUPAC name of 6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one (CID 68897115) is 6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one is O=c1nccc(-c2ccsc2-c2ccccc2)[nH]1.
What is the InChIKey of 6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one?
The InChIKey is DIQUMIQKSIRKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2OS/c17-14-15-8-6-12(16-14)11-7-9-18-13(11)10-4-2-1-3-5-10/h1-9H,(H,15,16,17).
What are the key properties of 6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one?
6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one has a molecular weight of 254.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-phenylthiophen-3-yl)-1H-pyrimidin-2-one is sourced from PubChem (CID 68897115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).