Methyl pyrimidine-5-carboxylate

C6H6N2O2CAS 34253-01-5138.13 g/mol

Open in Covalent MOL file
OONN
Ester

Properties

Molecular formula
C6H6N2O2
Molar mass
138.13 g/mol
Exact mass
138.0429 Da
logP
0.26Crippen estimate
Polar surface area
52.1 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 39 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+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
34253-01-5
SMILES
COC(=O)C1=CN=CN=C1
InChIKey
XMVNUAHPLDBEJH-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N2O2/c1-10-6(9)5-2-7-4-8-3-5/h2-4H,1H3

Weigh it out

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Work with Methyl pyrimidine-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

Dimethyl 3,5-pyridinedicarboxylate4591-55-373 % similar Methyl nicotinate93-60-763 % similar Methyl 2-chloropyrimidine-5-carboxylate287714-35-662 % similar Methyl 5-bromopyridine-3-carboxylate29681-44-561 % similar Methyl 5-methylpyridine-3-carboxylate29681-45-661 % similar Methyl isonicotinate2459-09-861 % similar Dimethyl terephthalate120-61-660 % similar Trimethyl benzene-1,3,5-tricarboxylate2672-58-460 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitroaniline100-01-6 4-Aminopicolinic acid100047-36-7 Urocanic acid104-98-3 Benzoquinone dioxime105-11-3 5-Methyl-2-nitropyridine1074-38-0 2-Aminopyridine-4-carboxylic acid13362-28-2 2-Methyl-4-nitropyridine13508-96-8 2-Methyl-4-pyrimidinecarboxylic acid13627-49-1

Elsewhere

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