Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

C14H16N2O2SCAS 33458-26-3276.35 g/mol

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OONHSNH
AlkeneEster

Properties

Molecular formula
C14H16N2O2S
Molar mass
276.35 g/mol
Exact mass
276.0932 Da
logP
2.04Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
33458-26-3
SMILES
CCOC(=O)C1=C(NC(=S)NC1C2=CC=CC=C2)C
InChIKey
QMFBVGUFEGVPNG-UHFFFAOYSA-N
InChI
InChI=1S/C14H16N2O2S/c1-3-18-13(17)11-9(2)15-14(19)16-12(11)10-7-5-4-6-8-10/h4-8,12H,3H2,1-2H3,(H2,15,16,19)

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Work with Ethyl 6-methyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Monastrol254753-54-377 % similar Ethyl 4-(4-chlorophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate5948-71-059 % similar 3,5-Diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate632-93-951 % similar Nitrendipine39562-70-444 % similar Felodipine72509-76-343 % similar Ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate7625-01-643 % similar Felodipine86189-69-743 % similar Ethyl 3-cyano-3-phenylpyruvate6362-63-643 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-N-ethyl-N-phenylbenzenesulfonamide81-10-7

Elsewhere

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