ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate

C14H18N2O3 — CID 90182158

IUPACethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(c2cnc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H18N2O3/c1-3-19-14(18)11-6-4-10(5-7-11)12-8-15-9(2)16-13(12)17/h4,8,11H,3,5-7H2,1-2H3,(H,15,16,17)
InChIKeyIDKYWTUMOMIFBR-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.82
Rot. Bonds3

About ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate

ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate (PubChem CID 90182158) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate
PubChem CID90182158
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Nameethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate
SMILESCCOC(=O)C1CC=C(c2cnc(C)[nH]c2=O)CC1
InChIInChI=1S/C14H18N2O3/c1-3-19-14(18)11-6-4-10(5-7-11)12-8-15-9(2)16-13(12)17/h4,8,11H,3,5-7H2,1-2H3,(H,15,16,17)
InChIKeyIDKYWTUMOMIFBR-UHFFFAOYSA-N
XLogP1.82
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-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 (1R)-4-pyrimidin-2-ylcyclohex-3-ene-1-carboxylate
CID 129392349
ethyl (1S)-4-(2-amino-3-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 67443876
ethyl 4-(5-fluoro-2-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 58485013
ethyl 4-(5-fluoro-2-hydroxyphenyl)cyclohex-3-ene-1-carboxylate
CID 129140658
ethyl 4-(4-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 58485050
ethyl (1S)-4-(3-amino-2-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 67445034
ethyl 4-(2,4-dimethoxyphenyl)cyclohex-3-ene-1-carboxylate
CID 177244801
ethyl (1R)-4-(trideuteriomethyl)cyclohex-3-ene-1-carboxylate
CID 175763412
ethyl (1R)-4-(2-ethoxy-2-oxoethyl)cyclohex-3-ene-1-carboxylate
CID 97177704
tert-butyl (2R,5S)-4-[2-chloro-5-(4-ethoxycarbonylcyclohexen-1-yl)pyrimidin-4-yl]-2,5-dimethylpiperazine-1-carboxylate
CID 167248203
ethyl 4-(3-nitrophenyl)cyclohex-3-ene-1-carboxylate
CID 58801072
ethyl 4-[1-(4-chlorophenyl)pyrazol-4-yl]cyclohex-3-ene-1-carboxylate
CID 165399673

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate?
The IUPAC name of ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate (CID 90182158) is ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate?
The canonical SMILES for ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate is CCOC(=O)C1CC=C(c2cnc(C)[nH]c2=O)CC1.
What is the InChIKey of ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate?
The InChIKey is IDKYWTUMOMIFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-3-19-14(18)11-6-4-10(5-7-11)12-8-15-9(2)16-13(12)17/h4,8,11H,3,5-7H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate?
ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate has a molecular weight of 262.31 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methyl-6-oxo-1H-pyrimidin-5-yl)cyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 90182158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).