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

C18H23N3O5 — CID 33061600

IUPACethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(C)Cc2ccc3c(c2)OCCO3)NC(=O)NC1
InChIInChI=1S/C18H23N3O5/c1-3-24-17(22)13-9-19-18(23)20-14(13)11-21(2)10-12-4-5-15-16(8-12)26-7-6-25-15/h4-5,8H,3,6-7,9-11H2,1-2H3,(H2,19,20,23)
InChIKeyWJRXMIZGYKUNLK-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.02
Rot. Bonds6

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

ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 33061600) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID33061600
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Nameethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(C)Cc2ccc3c(c2)OCCO3)NC(=O)NC1
InChIInChI=1S/C18H23N3O5/c1-3-24-17(22)13-9-19-18(23)20-14(13)11-21(2)10-12-4-5-15-16(8-12)26-7-6-25-15/h4-5,8H,3,6-7,9-11H2,1-2H3,(H2,19,20,23)
InChIKeyWJRXMIZGYKUNLK-UHFFFAOYSA-N
XLogP1.02
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

ethyl 6-[[(5-bromothiophen-2-yl)methyl-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8749857
ethyl 2-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]acetate
CID 115257414
ethyl 6-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-ium-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8709559
ethyl 6-[[(4-ethylcyclohexyl)-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 47073444
ethyl 6-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-4-[2-(difluoromethoxy)phenyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 42927267
ethyl 6-[[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8552399
methyl 3-[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]propanoate
CID 115232427
ethyl 6-[(6-chloro-3,4-dihydro-2H-chromene-3-carbonyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46648488
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-(azocan-1-ium-1-ylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 8550075
bis[(5-ethoxycarbonyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl)methyl] (E)-but-2-enedioate
CID 27922681
ethyl 6-[(3,4-diethoxybenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 27913494

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 33061600) is ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN(C)Cc2ccc3c(c2)OCCO3)NC(=O)NC1.
What is the InChIKey of ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is WJRXMIZGYKUNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-3-24-17(22)13-9-19-18(23)20-14(13)11-21(2)10-12-4-5-15-16(8-12)26-7-6-25-15/h4-5,8H,3,6-7,9-11H2,1-2H3,(H2,19,20,23).
What are the key properties of ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2,3-dihydro-1,4-benzodioxin-6-ylmethyl(methyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 33061600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).