ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C18H23N3O5 — CID 24686191

IUPACethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2cccc(N(C)C)c2)NC(=O)NC1C
InChIInChI=1S/C18H23N3O5/c1-5-25-17(23)15-11(2)19-18(24)20-14(15)10-26-16(22)12-7-6-8-13(9-12)21(3)4/h6-9,11H,5,10H2,1-4H3,(H2,19,20,24)
InChIKeySAYXIFSQKBKQLT-UHFFFAOYSA-N
MW361.40 g/mol
LogP1.43
Rot. Bonds6

About ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 24686191) has the molecular formula C18H23N3O5 and a molecular weight of 361.40 g/mol. Its IUPAC name is ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID24686191
Molecular FormulaC18H23N3O5
Molecular Weight361.40 g/mol
Exact Mass361.16
IUPAC Nameethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2cccc(N(C)C)c2)NC(=O)NC1C
InChIInChI=1S/C18H23N3O5/c1-5-25-17(23)15-11(2)19-18(24)20-14(15)10-26-16(22)12-7-6-8-13(9-12)21(3)4/h6-9,11H,5,10H2,1-4H3,(H2,19,20,24)
InChIKeySAYXIFSQKBKQLT-UHFFFAOYSA-N
XLogP1.43
TPSA96.97 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 ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 24686191) is ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)c2cccc(N(C)C)c2)NC(=O)NC1C.
What is the InChIKey of ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is SAYXIFSQKBKQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O5/c1-5-25-17(23)15-11(2)19-18(24)20-14(15)10-26-16(22)12-7-6-8-13(9-12)21(3)4/h6-9,11H,5,10H2,1-4H3,(H2,19,20,24).
What are the key properties of ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 361.40 g/mol, XLogP of 1.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[3-(dimethylamino)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 24686191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).