ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate

C18H19FN2O3 — CID 170718339

IUPACethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2(F)CCCC2)nc1Oc1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-2-23-16(22)14-12-20-17(18(19)10-6-7-11-18)21-15(14)24-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyABAZFJNCEMNUPK-UHFFFAOYSA-N
MW330.36 g/mol
LogP4.18
Rot. Bonds5

About ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate

ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate (PubChem CID 170718339) has the molecular formula C18H19FN2O3 and a molecular weight of 330.36 g/mol. Its IUPAC name is ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate
PubChem CID170718339
Molecular FormulaC18H19FN2O3
Molecular Weight330.36 g/mol
Exact Mass330.14
IUPAC Nameethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2(F)CCCC2)nc1Oc1ccccc1
InChIInChI=1S/C18H19FN2O3/c1-2-23-16(22)14-12-20-17(18(19)10-6-7-11-18)21-15(14)24-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3
InChIKeyABAZFJNCEMNUPK-UHFFFAOYSA-N
XLogP4.18
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate (CID 170718339) is ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate is CCOC(=O)c1cnc(C2(F)CCCC2)nc1Oc1ccccc1.
What is the InChIKey of ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate?
The InChIKey is ABAZFJNCEMNUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2O3/c1-2-23-16(22)14-12-20-17(18(19)10-6-7-11-18)21-15(14)24-13-8-4-3-5-9-13/h3-5,8-9,12H,2,6-7,10-11H2,1H3.
What are the key properties of ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate?
ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate has a molecular weight of 330.36 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-fluorocyclopentyl)-4-phenoxypyrimidine-5-carboxylate is sourced from PubChem (CID 170718339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).