ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C27H26N2O5 — CID 67065422

IUPACethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C(C)OC(=O)c2ccccc2)C(=O)NC1c1ccc2ccccc2c1
InChIInChI=1S/C27H26N2O5/c1-4-33-26(31)23-17(2)29(18(3)34-25(30)20-11-6-5-7-12-20)27(32)28-24(23)22-15-14-19-10-8-9-13-21(19)16-22/h5-16,18,24H,4H2,1-3H3,(H,28,32)
InChIKeyGKUNFXGRCDDGPS-UHFFFAOYSA-N
MW458.51 g/mol
LogP4.95
Rot. Bonds6

About ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 67065422) has the molecular formula C27H26N2O5 and a molecular weight of 458.51 g/mol. Its IUPAC name is ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID67065422
Molecular FormulaC27H26N2O5
Molecular Weight458.51 g/mol
Exact Mass458.18
IUPAC Nameethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(C)N(C(C)OC(=O)c2ccccc2)C(=O)NC1c1ccc2ccccc2c1
InChIInChI=1S/C27H26N2O5/c1-4-33-26(31)23-17(2)29(18(3)34-25(30)20-11-6-5-7-12-20)27(32)28-24(23)22-15-14-19-10-8-9-13-21(19)16-22/h5-16,18,24H,4H2,1-3H3,(H,28,32)
InChIKeyGKUNFXGRCDDGPS-UHFFFAOYSA-N
XLogP4.95
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.51
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate with MolForge

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Related Compounds

methyl (6R)-3,4-dimethyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 8862720
ethyl (6S)-3-cyclopropyl-6-(6-methoxynaphthalen-2-yl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 9086174
methyl (6S)-3-[(2R)-1-methoxypropan-2-yl]-4-methyl-6-naphthalen-2-yl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 8863428
ethyl (6S)-3,4-dimethyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 721516
ethyl 4-(4-benzoyloxyphenyl)-2-oxo-6-propan-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 110844853
ethyl (6S)-6-(2-bromophenyl)-4-methyl-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxylate
CID 11944222
ethyl 3-ethyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 6613464
ethyl (6S)-4-methyl-6-(4-nitrophenyl)-2-oxo-3-propan-2-yl-1,6-dihydropyrimidine-5-carboxylate
CID 11944220
3-(5-ethoxycarbonyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidin-3-yl)benzoic acid
CID 139215831
ethyl (6S)-3-benzyl-6-(4-methoxyphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 1300178
4-[(6R)-5-methoxycarbonyl-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidin-3-yl]butanoic acid
CID 8863697
ethyl 3-benzyl-6-(4-methoxycarbonylphenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 4876075

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 67065422) is ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCOC(=O)C1=C(C)N(C(C)OC(=O)c2ccccc2)C(=O)NC1c1ccc2ccccc2c1.
What is the InChIKey of ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is GKUNFXGRCDDGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O5/c1-4-33-26(31)23-17(2)29(18(3)34-25(30)20-11-6-5-7-12-20)27(32)28-24(23)22-15-14-19-10-8-9-13-21(19)16-22/h5-16,18,24H,4H2,1-3H3,(H,28,32).
What are the key properties of ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 458.51 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(1-benzoyloxyethyl)-4-methyl-6-naphthalen-2-yl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 67065422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).