4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one

C14H11N3OS — CID 135546497

IUPAC4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(Cc2cccs2)[nH]1
InChIInChI=1S/C14H11N3OS/c18-14-9-12(10-3-5-15-6-4-10)16-13(17-14)8-11-2-1-7-19-11/h1-7,9H,8H2,(H,16,17,18)
InChIKeyIRISMVFEUFPDPX-UHFFFAOYSA-N
MW269.33 g/mol
LogP2.48
Rot. Bonds3

About 4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one

4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 135546497) has the molecular formula C14H11N3OS and a molecular weight of 269.33 g/mol. Its IUPAC name is 4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID135546497
Molecular FormulaC14H11N3OS
Molecular Weight269.33 g/mol
Exact Mass269.06
IUPAC Name4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1cc(-c2ccncc2)nc(Cc2cccs2)[nH]1
InChIInChI=1S/C14H11N3OS/c18-14-9-12(10-3-5-15-6-4-10)16-13(17-14)8-11-2-1-7-19-11/h1-7,9H,8H2,(H,16,17,18)
InChIKeyIRISMVFEUFPDPX-UHFFFAOYSA-N
XLogP2.48
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one (CID 135546497) is 4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one is O=c1cc(-c2ccncc2)nc(Cc2cccs2)[nH]1.
What is the InChIKey of 4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is IRISMVFEUFPDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3OS/c18-14-9-12(10-3-5-15-6-4-10)16-13(17-14)8-11-2-1-7-19-11/h1-7,9H,8H2,(H,16,17,18).
What are the key properties of 4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one?
4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 269.33 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-2-(thiophen-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135546497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).