Basic information
- Standard SMILES
Cc1nc(N)cc(=O)[nH]1- InChIKey
MVHONLHZERWNRF-UHFFFAOYSA-N- Molecular formula
- C5H7N3O
- Average molar mass
- 125.13 g/mol
- Monoisotopic mass
- 125.05891186
Names & identifiers
- Preferred name
- 2-Methyl-4-amino-6-hydroxypyrimidine
- IUPAC
- 4-amino-2-methyl-1H-pyrimidin-6-one
- English name
- 4-Amino-6-hydroxy-2-methylpyrimidine
- Molecular formula
- C5H7N3O
- Molecular weight
- 125.13
Names & synonyms
Show more names
Database identifiers
- CAS
767-16-8- PubChem CID
- 135431330
- DTXSID
DTXSID6061107- UNII
- L9V7LC4LHZ
- EC Number
- 212-182-0
- Nikkaji
- J58.048A
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 204
Physicochemical properties
- Melting point
- 300 °C · >300°C
- Boiling point
- 228.1 · 228.1±43.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Sealed in dry,Room Temperature
- pka
- 10.45 · 10.45±0.50(Predicted)
- CAS DataBase Reference
- 767 · 767-16-8(CAS DataBase Reference)
- FDA UNII
- 9 V7LC4LHZ · L9V7LC4LHZ
- EPA Substance Registry System
- 6 · 6-Amino-2-methyl-4(1H)-pyrimidinone (767-16-8)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- Safety Statements
- 22 · 22-24/25
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.
Danger
H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral];H315 (95.1%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (92.7%): Causes serious eye damage [Danger Serious eye damage/eye irritation];H335 (95.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 1 of 41 reports by companies.;There are 3 notifications provided by 40 of 41 reports by companies with hazard statement code(s).;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
Applications
Uses4-Amino-6-hydroxy-2-methylpyrimidine is a heterocyclic compound that can be used as an organic intermediate.
Upstream & downstream products
Downstream products
Suppliers36 total
Related reactions
Linked notes
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