2-Amino-4-methylpyrimidine
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Basic information
- CAS
108-52-1- Standard SMILES
Cc1ccnc(N)n1- InChIKey
GHCFWKFREBNSPC-UHFFFAOYSA-N- Molecular formula
- C5H7N3
- Average molar mass
- 109.13 g/mol
- Monoisotopic mass
- 109.06399722
Overview
2-Amino-4-methylpyrimidine is an aminopyrimidine.
Names & identifiers
- Preferred name
- 2-Amino-4-methylpyrimidine
- IUPAC
- 4-methylpyrimidin-2-amine
- English name
- 2-Amino-4-methylpyrimidine
- Molecular formula
- C5H7N3
- Molecular weight
- 109.13
Names & synonyms
2-AMINO-4-METHYLPYRIMIDINE108-52-12-Pyrimidinamine, 4-methyl-6-Methyl-2-pyrimidinamine4-Methylpyrimidin-2-ylamineZEQ6ZS0OOCNSC 1939EINECS 203-591-5BRN 0108506AI3-08091NSC-19395-25-10-00160 (Beilstein Handbook Reference)
Show more names
TIMTEC-BB SBB004343AMINO-4-METHYLPYRIMIDINE2-amino-4-methyl-pyrimidin2-AMINO-4-METHYL-1,3-DIAZINE
RefChem:4643472-Pyrimidinamine, 4-methyl-(9CI)InChI=1/C5H7N3/c1-4-2-3-7-5(6)8-4/h2-3H,1H3,(H2,6,7,84-methylpyrimidin-2-amine4-Methyl-2-pyrimidinaminePyrimidine, 2-amino-4-methyl-MFCD000061012-AMINO-4-METHYL-PYRIMIDINE
Database identifiers
- CAS
108-52-1- PubChem CID
- 7939
- DTXSID
DTXSID90148349- ChEBI
CHEBI:170014- UNII
- ZEQ6ZS0OOC
- EC Number
- 203-591-5
- Nikkaji
- J79.446E
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 74.1
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Physicochemical properties
- Melting point
- 158 · 158-160 °C(lit.)
- Boiling point
- 194.6 °C · 194.6°C (rough estimate)
- Density
- 1 g/cm3 · 1 g/cm3
- refractive index
- 1.534 · 1.5340 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Crystalline Powder
- pka
- 1 · pK1: 4.11(+1) (20°C)
- color
- Off-white to light brown
- BRN
- 108506 · 108506
- CAS DataBase Reference
- 108 · 108-52-1(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 47 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information2-Pyrimidinamine, 4-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- UV6485000
- hs_code
- 29335990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P305+P351+P338-P261-P280a-P304+P340-P405-P501a
Chemistry & industry
Applications
Uses2-Amino-4-methylpyrimidine is a compound involved in a study about carbonylation as a key reaction in anaerobic acetone activation by Desulfococcus biacutus. 2-Amino-4-methylpyrimidine is formed as the product of a reaction between acetoacetaldehyde and guanidine.
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: 2-Amino-4-methylpyrimidine is an aminopyrimidine.
Related reactions
39 records
Compound notes
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