ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate

C23H28N2O3 — CID 149470316

IUPACethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Cc2nc(OC3CCCC3)nc3c2CCC3)cc1
InChIInChI=1S/C23H28N2O3/c1-2-27-22(26)15-17-12-10-16(11-13-17)14-21-19-8-5-9-20(19)24-23(25-21)28-18-6-3-4-7-18/h10-13,18H,2-9,14-15H2,1H3
InChIKeyZBFQQXHEAIBGKM-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.98
Rot. Bonds7

About ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate

ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate (PubChem CID 149470316) has the molecular formula C23H28N2O3 and a molecular weight of 380.49 g/mol. Its IUPAC name is ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate
PubChem CID149470316
Molecular FormulaC23H28N2O3
Molecular Weight380.49 g/mol
Exact Mass380.21
IUPAC Nameethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Cc2nc(OC3CCCC3)nc3c2CCC3)cc1
InChIInChI=1S/C23H28N2O3/c1-2-27-22(26)15-17-12-10-16(11-13-17)14-21-19-8-5-9-20(19)24-23(25-21)28-18-6-3-4-7-18/h10-13,18H,2-9,14-15H2,1H3
InChIKeyZBFQQXHEAIBGKM-UHFFFAOYSA-N
XLogP3.98
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate (CID 149470316) is ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate is CCOC(=O)Cc1ccc(Cc2nc(OC3CCCC3)nc3c2CCC3)cc1.
What is the InChIKey of ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate?
The InChIKey is ZBFQQXHEAIBGKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3/c1-2-27-22(26)15-17-12-10-16(11-13-17)14-21-19-8-5-9-20(19)24-23(25-21)28-18-6-3-4-7-18/h10-13,18H,2-9,14-15H2,1H3.
What are the key properties of ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate?
ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate has a molecular weight of 380.49 g/mol, XLogP of 3.98, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(2-cyclopentyloxy-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)methyl]phenyl]acetate is sourced from PubChem (CID 149470316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).