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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Related Compounds

ethyl 4-phenoxy-2-pyrrolidin-1-ylpyrimidine-5-carboxylate
CID 170718101
benzyl 2-ethyl-4-phenoxypyrimidine-5-carboxylate
CID 174195714
ethyl 6-cyclopentyl-5-methyl-2-phenoxypyridine-3-carboxylate
CID 170718319
ethyl 2-phenyl-4-[3-(trifluoromethyl)phenoxy]pyrimidine-5-carboxylate
CID 1474616
ethyl 2-phenoxy-6-prop-1-en-2-ylpyridine-3-carboxylate
CID 170718105
ethyl 5-(phenoxymethyl)pyridazine-4-carboxylate
CID 15212302
ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate
CID 116782888
ethyl 2-(phenoxymethyl)benzoate
CID 14674220
ethyl 2-methyl-4-phenylpyrimidine-5-carboxylate
CID 14639215
ethyl 2-[(2-phenoxypyridine-3-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 55354839
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
ethyl 4-ethyl-2-(phenylmethoxymethyl)pyrimidine-5-carboxylate
CID 165448403

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).