ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate

C11H13FN2O3 — CID 172893792

IUPACethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cnc(C2CC2)c(F)c1=O
InChIInChI=1S/C11H13FN2O3/c1-2-17-8(15)5-14-6-13-10(7-3-4-7)9(12)11(14)16/h6-7H,2-5H2,1H3
InChIKeyNRQLULKSXOGLPN-UHFFFAOYSA-N
MW240.23 g/mol
LogP0.82
Rot. Bonds4

About ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate

ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate (PubChem CID 172893792) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate
PubChem CID172893792
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Nameethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate
SMILESCCOC(=O)Cn1cnc(C2CC2)c(F)c1=O
InChIInChI=1S/C11H13FN2O3/c1-2-17-8(15)5-14-6-13-10(7-3-4-7)9(12)11(14)16/h6-7H,2-5H2,1H3
InChIKeyNRQLULKSXOGLPN-UHFFFAOYSA-N
XLogP0.82
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate (CID 172893792) is ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate is CCOC(=O)Cn1cnc(C2CC2)c(F)c1=O.
What is the InChIKey of ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate?
The InChIKey is NRQLULKSXOGLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-2-17-8(15)5-14-6-13-10(7-3-4-7)9(12)11(14)16/h6-7H,2-5H2,1H3.
What are the key properties of ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate?
ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate has a molecular weight of 240.23 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-cyclopropyl-5-fluoro-6-oxopyrimidin-1-yl)acetate is sourced from PubChem (CID 172893792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).