ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate

C19H20F2N2O3 — CID 58788309

IUPACethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2c1CCC2
InChIInChI=1S/C19H20F2N2O3/c1-2-26-17(24)11-23-15-8-4-6-13(15)19(25)22-16(23)10-9-12-5-3-7-14(20)18(12)21/h3,5,7H,2,4,6,8-11H2,1H3
InChIKeyREALJNBJGWHSCB-UHFFFAOYSA-N
MW362.38 g/mol
LogP2.36
Rot. Bonds6

About ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate

ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate (PubChem CID 58788309) has the molecular formula C19H20F2N2O3 and a molecular weight of 362.38 g/mol. Its IUPAC name is ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate
PubChem CID58788309
Molecular FormulaC19H20F2N2O3
Molecular Weight362.38 g/mol
Exact Mass362.14
IUPAC Nameethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate
SMILESCCOC(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2c1CCC2
InChIInChI=1S/C19H20F2N2O3/c1-2-26-17(24)11-23-15-8-4-6-13(15)19(25)22-16(23)10-9-12-5-3-7-14(20)18(12)21/h3,5,7H,2,4,6,8-11H2,1H3
InChIKeyREALJNBJGWHSCB-UHFFFAOYSA-N
XLogP2.36
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate?
The IUPAC name of ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate (CID 58788309) is ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate is CCOC(=O)Cn1c(CCc2cccc(F)c2F)nc(=O)c2c1CCC2.
What is the InChIKey of ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate?
The InChIKey is REALJNBJGWHSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O3/c1-2-26-17(24)11-23-15-8-4-6-13(15)19(25)22-16(23)10-9-12-5-3-7-14(20)18(12)21/h3,5,7H,2,4,6,8-11H2,1H3.
What are the key properties of ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate?
ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate has a molecular weight of 362.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]acetate is sourced from PubChem (CID 58788309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).