3-(thiophen-2-ylmethyl)pyrimidin-4-one

C9H8N2OS — CID 54378994

IUPAC3-(thiophen-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1Cc1cccs1
InChIInChI=1S/C9H8N2OS/c12-9-3-4-10-7-11(9)6-8-2-1-5-13-8/h1-5,7H,6H2
InChIKeyUYPJAJZQKODYEJ-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.35
Rot. Bonds2

About 3-(thiophen-2-ylmethyl)pyrimidin-4-one

3-(thiophen-2-ylmethyl)pyrimidin-4-one (PubChem CID 54378994) has the molecular formula C9H8N2OS and a molecular weight of 192.24 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)pyrimidin-4-one
PubChem CID54378994
Molecular FormulaC9H8N2OS
Molecular Weight192.24 g/mol
Exact Mass192.04
IUPAC Name3-(thiophen-2-ylmethyl)pyrimidin-4-one
SMILESO=c1ccncn1Cc1cccs1
InChIInChI=1S/C9H8N2OS/c12-9-3-4-10-7-11(9)6-8-2-1-5-13-8/h1-5,7H,6H2
InChIKeyUYPJAJZQKODYEJ-UHFFFAOYSA-N
XLogP1.35
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)pyrimidin-4-one?
The IUPAC name of 3-(thiophen-2-ylmethyl)pyrimidin-4-one (CID 54378994) is 3-(thiophen-2-ylmethyl)pyrimidin-4-one.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)pyrimidin-4-one?
The canonical SMILES for 3-(thiophen-2-ylmethyl)pyrimidin-4-one is O=c1ccncn1Cc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)pyrimidin-4-one?
The InChIKey is UYPJAJZQKODYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2OS/c12-9-3-4-10-7-11(9)6-8-2-1-5-13-8/h1-5,7H,6H2.
What are the key properties of 3-(thiophen-2-ylmethyl)pyrimidin-4-one?
3-(thiophen-2-ylmethyl)pyrimidin-4-one has a molecular weight of 192.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)pyrimidin-4-one is sourced from PubChem (CID 54378994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).