ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate

C13H18N2O4 — CID 113432883

IUPACethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2(OC)CCCC2)[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-3-19-11(17)9-8-14-12(15-10(9)16)13(18-2)6-4-5-7-13/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyOKOZVBHBVYURGV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.36
Rot. Bonds4

About ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 113432883) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID113432883
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2(OC)CCCC2)[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-3-19-11(17)9-8-14-12(15-10(9)16)13(18-2)6-4-5-7-13/h8H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyOKOZVBHBVYURGV-UHFFFAOYSA-N
XLogP1.36
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-cyclopentyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 62021501
ethyl 6-oxo-2-(oxolan-2-yl)-1H-pyrimidine-5-carboxylate
CID 65328605
ethyl 2-(3-methylcyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 65414824
ethyl 2-(2-methoxypropan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 79198292
2-(2-Methyloxolan-2-yl)-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 80174443
ethyl 2-(2-methyloxolan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 80174542
2-(2-methyloxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 80681715
ethyl 2-(2-methyloxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 80681798
2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 104611629
ethyl 2-(1-methoxycyclobutyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 113557598
ethyl 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 113557599
ethyl 2-(2-ethoxybutan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 113562750

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 113432883) is ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C2(OC)CCCC2)[nH]c1=O.
What is the InChIKey of ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is OKOZVBHBVYURGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-19-11(17)9-8-14-12(15-10(9)16)13(18-2)6-4-5-7-13/h8H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 266.30 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 113432883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).