ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H24N6O5 — CID 24564764

IUPACethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)Cn2nnc(-c3ccc(C)cc3)n2)NC(=O)NC1c1ccccc1
InChIInChI=1S/C24H24N6O5/c1-3-34-23(32)20-18(25-24(33)26-21(20)16-7-5-4-6-8-16)14-35-19(31)13-30-28-22(27-29-30)17-11-9-15(2)10-12-17/h4-12,21H,3,13-14H2,1-2H3,(H2,25,26,33)
InChIKeyJXYAFPMQWIYPHD-UHFFFAOYSA-N
MW476.49 g/mol
LogP2.06
Rot. Bonds8

About ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 24564764) has the molecular formula C24H24N6O5 and a molecular weight of 476.49 g/mol. Its IUPAC name is ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID24564764
Molecular FormulaC24H24N6O5
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC Nameethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)Cn2nnc(-c3ccc(C)cc3)n2)NC(=O)NC1c1ccccc1
InChIInChI=1S/C24H24N6O5/c1-3-34-23(32)20-18(25-24(33)26-21(20)16-7-5-4-6-8-16)14-35-19(31)13-30-28-22(27-29-30)17-11-9-15(2)10-12-17/h4-12,21H,3,13-14H2,1-2H3,(H2,25,26,33)
InChIKeyJXYAFPMQWIYPHD-UHFFFAOYSA-N
XLogP2.06
TPSA137.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 2-oxo-4-phenyl-6-[(4-phenylbenzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3413116
ethyl 6-[[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55506091
ethyl (4S)-6-[[2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41093962
ethyl (4R)-6-[(4-hydroxybenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7866735
ethyl 6-[[2-[methyl(pyrimidin-2-yl)amino]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46602781
ethyl (4R)-6-[[2-(4-fluorophenyl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7759161
ethyl (4S)-6-[(N-ethylanilino)methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92690788
ethyl (4R)-6-[(N-ethylanilino)methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92690787
ethyl (4S)-4-methyl-6-[[5-(4-methylphenyl)tetrazol-2-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7571418
ethyl (4S)-6-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51922716
ethyl 6-[[4-(hydroxymethyl)benzoyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55327175
ethyl 2-oxo-4-phenyl-6-(thiophene-3-carbonyloxymethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55375163

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 24564764) is ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)Cn2nnc(-c3ccc(C)cc3)n2)NC(=O)NC1c1ccccc1.
What is the InChIKey of ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is JXYAFPMQWIYPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O5/c1-3-34-23(32)20-18(25-24(33)26-21(20)16-7-5-4-6-8-16)14-35-19(31)13-30-28-22(27-29-30)17-11-9-15(2)10-12-17/h4-12,21H,3,13-14H2,1-2H3,(H2,25,26,33).
What are the key properties of ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 476.49 g/mol, XLogP of 2.06, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[2-[5-(4-methylphenyl)tetrazol-2-yl]acetyl]oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 24564764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).