ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C21H25N3O3 — CID 86879237

IUPACethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(C)CCc2cccc3ccccc23)NC(=O)NC1
InChIInChI=1S/C21H25N3O3/c1-3-27-20(25)18-13-22-21(26)23-19(18)14-24(2)12-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10H,3,11-14H2,1-2H3,(H2,22,23,26)
InChIKeyQGBJVJKNLUVDKY-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.44
Rot. Bonds7

About ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 86879237) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID86879237
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Nameethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(C)CCc2cccc3ccccc23)NC(=O)NC1
InChIInChI=1S/C21H25N3O3/c1-3-27-20(25)18-13-22-21(26)23-19(18)14-24(2)12-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10H,3,11-14H2,1-2H3,(H2,22,23,26)
InChIKeyQGBJVJKNLUVDKY-UHFFFAOYSA-N
XLogP2.44
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-[[benzyl(ethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8547566
ethyl 6-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8749857
ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 33061600
ethyl 6-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8552399
ethyl 6-[[[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methyl-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 33135665
ethyl 6-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 47073444
ethyl 6-[[methyl-[(4-prop-2-enoxyphenyl)methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8677141
ethyl 6-[3-(2-methoxyphenyl)propanoyloxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27922361
ethyl 6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 43063487
ethyl 6-(azocan-1-ium-1-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8550075
(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl 2,3-dihydro-1H-cyclopenta[b]quinoline-9-carboxylate
CID 167937916
ethyl 2-oxo-6-[(2,3,4-trimethoxybenzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27912503

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 86879237) is ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN(C)CCc2cccc3ccccc23)NC(=O)NC1.
What is the InChIKey of ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is QGBJVJKNLUVDKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-27-20(25)18-13-22-21(26)23-19(18)14-24(2)12-11-16-9-6-8-15-7-4-5-10-17(15)16/h4-10H,3,11-14H2,1-2H3,(H2,22,23,26).
What are the key properties of ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 367.45 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[methyl(2-naphthalen-1-ylethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 86879237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).