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

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Related Compounds

ethyl 2-[4-[[2-(cyclohexen-1-yl)-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl]methyl]phenyl]acetate
CID 159936269
ethyl 2-[4-[(2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)amino]phenyl]acetate
CID 118037309
ethyl 2-(3-cyclopropyloxyphenyl)acetate
CID 114522675
azane;ethyl 2-(2-benzyl-3-pyridinyl)acetate
CID 174610812
ethyl 2-(4-trimethylsilylphenyl)acetate
CID 125466611
ethyl 2-phenylacetate
CID 7590
ethyl 2-[1-[2-(5-chlorothiophen-2-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]indazol-5-yl]acetate
CID 118693425
ethyl 2-[8-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]acetate
CID 139761458
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678
ethyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]acetate
CID 54151231
2-(4-cyclopentyloxyphenyl)acetamide
CID 82493829
cyclopentyl 2-[4-(aminomethyl)phenyl]acetate
CID 174631265

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).