Pyrimidine-4-carboxylic acid methyl 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
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the 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
2450-08-0SMILES
COC(=O)C1=NC=NC=C1InChIKey
GXZQHMHLHHUHAM-UHFFFAOYSA-NInChI
InChI=1S/C6H6N2O2/c1-10-6(9)5-2-3-7-4-8-5/h2-4H,1H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
1 names
- Methyl pyrimidine-4-carboxylate
Work with Pyrimidine-4-carboxylic acid methyl ester
Similar compounds
Ethyl pyrimidine-4-carboxylate62846-82-663 % similar
Methyl picolinate2459-07-661 % similar
Methyl isonicotinate2459-09-856 % similar
Methyl 2-pyrazinecarboxylate6164-79-056 % similar
Methyl 5-fluoropyridine-2-carboxylate107504-07-456 % similar
Methyl 2-chloropyrimidine-4-carboxylate149849-94-556 % similar
Dimethyl pyridine-2,5-dicarboxylate881-86-754 % similar
Dimethyl 2,6-pyridinedicarboxylate5453-67-852 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.