(4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarboxylic acid

C₆H₈N₂O₄CAS 103365-69-1172.14 g/mol

Open in Covalent MOL file

Alcohol Amide Carboxylic Acid

Properties

Molecular formula: C₆H₈N₂O₄
Molar mass: 172.14 g/mol
Exact mass: 172.0484 Da
Melting point: 214–216 °C
logP: -0.78Crippen estimate
Polar surface area: 90.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Identifiers

CAS number

103365-69-1

SMILES

CN1C(=O)C[C@@H](C(=O)O)N=C1O

InChIKey

GWHDGNNXTNENIF-VKHMYHEASA-N

InChI

InChI=1S/C6H8N2O4/c1-8-4(9)2-3(5(10)11)7-6(8)12/h3H,2H2,1H3,(H,7,12)(H,10,11)/t3-/m0/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

4-Pyrimidinecarboxylic acid, hexahydro-1-methyl-2,6-dioxo-, (4S)-
4-Pyrimidinecarboxylic acid, hexahydro-1-methyl-2,6-dioxo-, (S)-
1-Methyl-L-4,5-dihydroorotic acid
(4S)-1-Methyl-2,6-dioxo-1,3-diazinane-4-carboxylic acid

Work with (4S)-Hexahydro-1-methyl-2,6-dioxo-4-pyrimidinecarboxylic acid

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

Elsewhere

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