2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic acid

C₇H₈N₂O₄CAS 20924-05-4184.15 g/mol

Open in Covalent MOL file

Carboxylic acid

Properties

Molecular formula: C₇H₈N₂O₄
Molar mass: 184.15 g/mol
Exact mass: 184.0484 Da
logP: -1.07Crippen estimate
Polar surface area: 92.2 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

20924-05-4

SMILES

CC1=CN(C(=O)NC1=O)CC(=O)O

InChIKey

TZDMCKHDYUDRMB-UHFFFAOYSA-N

InChI

InChI=1S/C7H8N2O4/c1-4-2-9(3-5(10)11)7(13)8-6(4)12/h2H,3H2,1H3,(H,10,11)(H,8,12,13)

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Names and synonyms

1 names

Thymine-1-acetic acid

Work with 2-(5-Methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)acetic 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

Similar compounds

Fmoc-PNA-T-OH169396-92-346 % similar 2',3'-Dideoxythymidine3416-05-540 % similar 3,5-Diiodo-4-oxo-1(4H)-pyridineacetic acid101-29-138 % similar (2-Methylphenyl)acetic acid644-36-036 % similar 2'-Fluorothymidine122799-38-636 % similar 1-((1S,3R,4R,7S)-7-Hydroxy-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-3-yl)-5-methylpyrimidine-2,4(1H,3H)-dione206055-67-635 % similar 2-(2,6-Dimethylphenoxy)acetic acid13335-71-235 % similar 3-(2-Methylphenyl)propionic acid22084-89-535 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,6-Dimethoxy-3-nitropyridine18677-41-3 Ethyl 1,2,3,4-tetrahydro-2,4-dioxo-5-pyrimidinecarboxylate28485-17-8 4,5-Dimethyl 1H-imidazole-4,5-dicarboxylate3304-70-9 Dimethyl 1H-pyrazole-3,5-dicarboxylate4077-76-3 Ethyl 4-Nitropyrrole-2-carboxylate5930-92-7 2,6-Dimethoxypyrimidine-4-carboxylic acid59864-30-1

Elsewhere

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