ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C24H23N5O5 — CID 27276049

IUPACethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)NC(=O)N[C@@H]1C
InChIInChI=1S/C24H23N5O5/c1-3-33-22(30)19-15(2)25-24(32)26-18(19)14-34-23(31)20-27-21(16-10-6-4-7-11-16)29(28-20)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3,(H2,25,26,32)/t15-/m1/s1
InChIKeyVPCGNEVXDHEGIP-OAHLLOKOSA-N
MW461.48 g/mol
LogP2.61
Rot. Bonds7

About ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 27276049) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID27276049
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC Nameethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)NC(=O)N[C@@H]1C
InChIInChI=1S/C24H23N5O5/c1-3-33-22(30)19-15(2)25-24(32)26-18(19)14-34-23(31)20-27-21(16-10-6-4-7-11-16)29(28-20)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3,(H2,25,26,32)/t15-/m1/s1
InChIKeyVPCGNEVXDHEGIP-OAHLLOKOSA-N
XLogP2.61
TPSA124.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(4R)-5-ethoxycarbonyl-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl 3-ethyl-4-oxophthalazine-1-carboxylate
CID 7190084
ethyl (4S)-6-[(2-hydroxybenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7890680
ethyl (4R)-6-[(2,2-diphenylacetyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7750035
ethyl (4S)-6-[(2,2-diphenylacetyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7750034
ethyl (4R)-6-[(2,6-difluorobenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7725729
ethyl 6-[[4-(2,5-dimethylpyrrol-1-yl)benzoyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55312390
ethyl (4S)-4-methyl-2-oxo-6-[[5-(phenoxymethyl)furan-2-carbonyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7468752
ethyl (4R)-4-methyl-2-oxo-6-[(4-oxo-4-phenylbutanoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 9467887
ethyl (4R)-6-[(2,3-dimethylbenzoyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7765228
ethyl 6-[[3-chloro-6-(3,5-dimethylpyrazol-1-yl)pyridine-2-carbonyl]oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55305226
ethyl 6-[(3-chloro-1-benzothiophene-2-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55316378
ethyl 2-oxo-4-phenyl-6-[(4-phenylbenzoyl)oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 3413116

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 27276049) is ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(COC(=O)c2nc(-c3ccccc3)n(-c3ccccc3)n2)NC(=O)N[C@@H]1C.
What is the InChIKey of ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is VPCGNEVXDHEGIP-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H23N5O5/c1-3-33-22(30)19-15(2)25-24(32)26-18(19)14-34-23(31)20-27-21(16-10-6-4-7-11-16)29(28-20)17-12-8-5-9-13-17/h4-13,15H,3,14H2,1-2H3,(H2,25,26,32)/t15-/m1/s1.
What are the key properties of ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 461.48 g/mol, XLogP of 2.61, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-6-[(1,5-diphenyl-1,2,4-triazole-3-carbonyl)oxymethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 27276049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).