5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one

C15H12N2OS — CID 2799192

IUPAC5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ncn(Cc2cccs2)cc1-c1ccccc1
InChIInChI=1S/C15H12N2OS/c18-15-14(12-5-2-1-3-6-12)10-17(11-16-15)9-13-7-4-8-19-13/h1-8,10-11H,9H2
InChIKeyTZQLPIDYWZRTOH-UHFFFAOYSA-N
MW268.34 g/mol
LogP3.02
Rot. Bonds3

About 5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one

5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one (PubChem CID 2799192) has the molecular formula C15H12N2OS and a molecular weight of 268.34 g/mol. Its IUPAC name is 5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one
PubChem CID2799192
Molecular FormulaC15H12N2OS
Molecular Weight268.34 g/mol
Exact Mass268.07
IUPAC Name5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ncn(Cc2cccs2)cc1-c1ccccc1
InChIInChI=1S/C15H12N2OS/c18-15-14(12-5-2-1-3-6-12)10-17(11-16-15)9-13-7-4-8-19-13/h1-8,10-11H,9H2
InChIKeyTZQLPIDYWZRTOH-UHFFFAOYSA-N
XLogP3.02
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one (CID 2799192) is 5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one is O=c1ncn(Cc2cccs2)cc1-c1ccccc1.
What is the InChIKey of 5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one?
The InChIKey is TZQLPIDYWZRTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2OS/c18-15-14(12-5-2-1-3-6-12)10-17(11-16-15)9-13-7-4-8-19-13/h1-8,10-11H,9H2.
What are the key properties of 5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one?
5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one has a molecular weight of 268.34 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1-(thiophen-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 2799192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).