ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate

C15H22N2O4 — CID 116775168

IUPACethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(OC)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)11-9-16-13(17-14(11)18)12(20-2)10-7-5-4-6-8-10/h9-10,12H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyIPNBZEKBUJTSML-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.21
Rot. Bonds5

About ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 116775168) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID116775168
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(OC)C2CCCCC2)[nH]c1=O
InChIInChI=1S/C15H22N2O4/c1-3-21-15(19)11-9-16-13(17-14(11)18)12(20-2)10-7-5-4-6-8-10/h9-10,12H,3-8H2,1-2H3,(H,16,17,18)
InChIKeyIPNBZEKBUJTSML-UHFFFAOYSA-N
XLogP2.21
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[cyclohexyl(methoxy)methyl]-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 trans-4-hydroxy-2-(4-propylcyclohexyl)-5-pyrimidinecarboxylate
CID 20450614
ethyl 2-(4-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 62020003
ethyl 2-cyclohexyl-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022469
ethyl 2-(3-methylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 62022842
ethyl 2-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 64185696
ethyl 2-(4-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 65390527
ethyl 2-(3-ethylcyclohexyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 65414823
ethyl 2-(2-methyloxan-2-yl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 80681798
ethyl 2-(oxan-2-ylmethyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 104252650
ethyl 2-(1-methoxycyclopentyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 113432883
ethyl 2-[cyclopropyl(ethoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate
CID 113557599
ethyl 2-(1-methoxy-2-methylpropyl)-6-oxo-1H-pyrimidine-5-carboxylate
CID 113557600

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate (CID 116775168) is ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(OC)C2CCCCC2)[nH]c1=O.
What is the InChIKey of ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is IPNBZEKBUJTSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-3-21-15(19)11-9-16-13(17-14(11)18)12(20-2)10-7-5-4-6-8-10/h9-10,12H,3-8H2,1-2H3,(H,16,17,18).
What are the key properties of ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclohexyl(methoxy)methyl]-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 116775168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).