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

C20H27N3O3 — CID 91592333

IUPACcyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=NC(=O)NC(c2ccc(N)cc2)C1C(=O)OCC1CCCCC1
InChIInChI=1S/C20H27N3O3/c1-2-16-17(19(24)26-12-13-6-4-3-5-7-13)18(23-20(25)22-16)14-8-10-15(21)11-9-14/h8-11,13,17-18H,2-7,12,21H2,1H3,(H,23,25)
InChIKeyFQKIDTUZQQPLHJ-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.62
Rot. Bonds5

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

cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 91592333) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Namecyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID91592333
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Namecyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCC1=NC(=O)NC(c2ccc(N)cc2)C1C(=O)OCC1CCCCC1
InChIInChI=1S/C20H27N3O3/c1-2-16-17(19(24)26-12-13-6-4-3-5-7-13)18(23-20(25)22-16)14-8-10-15(21)11-9-14/h8-11,13,17-18H,2-7,12,21H2,1H3,(H,23,25)
InChIKeyFQKIDTUZQQPLHJ-UHFFFAOYSA-N
XLogP3.62
TPSA93.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-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

Related Compounds

cyclohexylmethyl 6-(4-amino-3,5-dichlorophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91511739
cyclohexylmethyl 4-ethyl-6-[3-(methylamino)phenyl]-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 90693852
cyclohexylmethyl 6-(3-chloro-4-nitrophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 90859095
cyclohexylmethyl 6-[3-(2-aminopropanoyloxy)phenyl]-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91085844
cyclohexylmethyl 4-(2-hydroxyethyl)-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 90983294
cyclohexylmethyl 6-(3-aminophenyl)-4-cyclopropyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91608188
cyclohexylmethyl 6-(1,3-benzodioxol-5-yl)-4-methyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 170921371
cyclohexylmethyl 6-(3-hydroxyphenyl)-2-oxo-4-prop-1-ynyl-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 90813707
(2-oxo-2-piperidin-1-ylethyl) 4-ethyl-6-(3-methylphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91356365
ethyl 4-(chloromethyl)-6-(4-fluorophenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 170921060
cyclopentyl 4-ethyl-6-(3-hydroxyphenyl)-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 91110319
cyclohexylmethyl 6-(4-benzoyloxy-3-chloro-6-methylcyclohexa-2,4-dien-1-yl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate
CID 90938692

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate (CID 91592333) is cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is CCC1=NC(=O)NC(c2ccc(N)cc2)C1C(=O)OCC1CCCCC1.
What is the InChIKey of cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is FQKIDTUZQQPLHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-2-16-17(19(24)26-12-13-6-4-3-5-7-13)18(23-20(25)22-16)14-8-10-15(21)11-9-14/h8-11,13,17-18H,2-7,12,21H2,1H3,(H,23,25).
What are the key properties of cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate?
cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 357.45 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 6-(4-aminophenyl)-4-ethyl-2-oxo-5,6-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 91592333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).