3-Methyl-5-β-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione

C₁₀H₁₄N₂O₆CAS 81691-06-7258.23 g/mol

Open in Covalent MOL file

Alcohol Ether Phenol

Properties

Molecular formula: C₁₀H₁₄N₂O₆
Molar mass: 258.23 g/mol
Exact mass: 258.0852 Da
logP: -2.36Crippen estimate
Polar surface area: 125.0 Å²
H-bond donors / acceptors: 4 / 7
Rotatable bonds: 2
Stereocentres: S, R, S, Rin SMILES atom order

Identifiers

CAS number

81691-06-7

SMILES

Cn1c(O)ncc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1=O

InChIKey

DXEJZRDJXRVUPN-XUTVFYLZSA-N

InChI

InChI=1S/C10H14N2O6/c1-12-9(16)4(2-11-10(12)17)8-7(15)6(14)5(3-13)18-8/h2,5-8,13-15H,3H2,1H3,(H,11,17)/t5-,6-,7-,8+/m1/s1

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Names and synonyms

3 names

2,4(1H,3H)-Pyrimidinedione, 3-methyl-5-β-D-ribofuranosyl-
3-Methylpseudouridine
NSC 363818

Work with 3-Methyl-5-β-D-ribofuranosyl-2,4(1H,3H)-pyrimidinedione

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

Pseudouridine1445-07-451 % similar 1-Methylguanosine2140-65-042 % similar 1-Methylinosine2140-73-042 % similar Azacytidine320-67-239 % similar 6-Azauridine54-25-138 % similar Zebularine3690-10-637 % similar 5-Methylcytidine2140-61-637 % similar Cytarabine147-94-436 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N1-Methylpseudouridine13860-38-3 5-Methyluridine1463-10-1 2′-O-Methyluridine2140-76-3 5-Hydroxymethyl-2′-deoxyuridine5116-24-5 1-β-D-Arabinofuranosyl-5-methyl-2,4(1H,3H)-pyrimidinedione605-23-2

Elsewhere

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