cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C20H26N2O4 — CID 57327885

IUPACcyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=C(C(=O)OCC2CCCCC2)C(c2cccc(O)c2)NC(=O)N1
InChIInChI=1S/C20H26N2O4/c1-2-16-17(19(24)26-12-13-7-4-3-5-8-13)18(22-20(25)21-16)14-9-6-10-15(23)11-14/h6,9-11,13,18,23H,2-5,7-8,12H2,1H3,(H2,21,22,25)
InChIKeyYACVTSQCNTWDPF-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.53
Rot. Bonds5

About cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 57327885) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID57327885
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namecyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=C(C(=O)OCC2CCCCC2)C(c2cccc(O)c2)NC(=O)N1
InChIInChI=1S/C20H26N2O4/c1-2-16-17(19(24)26-12-13-7-4-3-5-8-13)18(22-20(25)21-16)14-9-6-10-15(23)11-14/h6,9-11,13,18,23H,2-5,7-8,12H2,1H3,(H2,21,22,25)
InChIKeyYACVTSQCNTWDPF-UHFFFAOYSA-N
XLogP3.53
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-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

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 57327885) is cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCC1=C(C(=O)OCC2CCCCC2)C(c2cccc(O)c2)NC(=O)N1.
What is the InChIKey of cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is YACVTSQCNTWDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-2-16-17(19(24)26-12-13-7-4-3-5-8-13)18(22-20(25)21-16)14-9-6-10-15(23)11-14/h6,9-11,13,18,23H,2-5,7-8,12H2,1H3,(H2,21,22,25).
What are the key properties of cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 3.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 6-ethyl-4-(3-hydroxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 57327885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).