2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one

C11H9FN2OS — CID 136673207

IUPAC2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(-c2cccs2)c1F
InChIInChI=1S/C11H9FN2OS/c12-8-9(7-2-1-5-16-7)13-10(6-3-4-6)14-11(8)15/h1-2,5-6H,3-4H2,(H,13,14,15)
InChIKeyYRKLRQOWSKOOCB-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.51
Rot. Bonds2

About 2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one

2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one (PubChem CID 136673207) has the molecular formula C11H9FN2OS and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one
PubChem CID136673207
Molecular FormulaC11H9FN2OS
Molecular Weight236.27 g/mol
Exact Mass236.04
IUPAC Name2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)nc(-c2cccs2)c1F
InChIInChI=1S/C11H9FN2OS/c12-8-9(7-2-1-5-16-7)13-10(6-3-4-6)14-11(8)15/h1-2,5-6H,3-4H2,(H,13,14,15)
InChIKeyYRKLRQOWSKOOCB-UHFFFAOYSA-N
XLogP2.51
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one (CID 136673207) is 2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one is O=c1[nH]c(C2CC2)nc(-c2cccs2)c1F.
What is the InChIKey of 2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one?
The InChIKey is YRKLRQOWSKOOCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2OS/c12-8-9(7-2-1-5-16-7)13-10(6-3-4-6)14-11(8)15/h1-2,5-6H,3-4H2,(H,13,14,15).
What are the key properties of 2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one?
2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-fluoro-4-thiophen-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136673207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).