6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one

C9H8FN3OS — CID 71256558

IUPAC6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one
SMILESNc1c(F)cnc(=O)n1Cc1cccs1
InChIInChI=1S/C9H8FN3OS/c10-7-4-12-9(14)13(8(7)11)5-6-2-1-3-15-6/h1-4H,5,11H2
InChIKeyYCPUOKUBXZNZHB-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.07
Rot. Bonds2

About 6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one

6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one (PubChem CID 71256558) has the molecular formula C9H8FN3OS and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one.

Molecular Properties

Compound Name6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one
PubChem CID71256558
Molecular FormulaC9H8FN3OS
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one
SMILESNc1c(F)cnc(=O)n1Cc1cccs1
InChIInChI=1S/C9H8FN3OS/c10-7-4-12-9(14)13(8(7)11)5-6-2-1-3-15-6/h1-4H,5,11H2
InChIKeyYCPUOKUBXZNZHB-UHFFFAOYSA-N
XLogP1.07
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one?
The IUPAC name of 6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one (CID 71256558) is 6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one.
What is the SMILES notation for 6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one?
The canonical SMILES for 6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one is Nc1c(F)cnc(=O)n1Cc1cccs1.
What is the InChIKey of 6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one?
The InChIKey is YCPUOKUBXZNZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FN3OS/c10-7-4-12-9(14)13(8(7)11)5-6-2-1-3-15-6/h1-4H,5,11H2.
What are the key properties of 6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one?
6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one has a molecular weight of 225.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-fluoro-1-(thiophen-2-ylmethyl)pyrimidin-2-one is sourced from PubChem (CID 71256558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).