6-Amino-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Completing data — refresh the page later to see the latest
Basic information
- CAS
21236-97-5- Standard SMILES
Cn1c(=O)cc(N)[nH]c1=O- InChIKey
JGAVPFNFAUWIJY-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382648
Names & identifiers
- Preferred name
- 6-Amino-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
- IUPAC
- 6-amino-3-methyl-1H-pyrimidine-2,4-dione
- English name
- 6-Amino-3-methyluracil
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.13
Names & synonyms
6-amino-3-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dioneRefChem:540214962-760-86-Amino-3-methyluracil21236-97-56-amino-3-methylpyrimidine-2,4(1H,3H)-dione6-amino-3-methyl-1H-pyrimidine-2,4-dioneMFCD02091062SCHEMBL1947779SCHEMBL24879507DTXSID30355712AKOS000279588
Show more names
Urapidil Impurity 736-Amino-3-methyluracil ,97%6-Amino-3-methyluracil 95+%6-Amino-3-methylpyrimidine-2,4(1H,3H)Urapidil Impurity 15（6-Amino-3-methyluracil）2,4(1H,3H)-Pyrimidinedione, 6-amino-3-methyl-6-amino-3-methyldihydropyrimidine-2,4(1H,3H)-dione
AC-28751W116286-amino-3-methylpyrimidine-2,4 (1H,3H)-dione3-Methyl-6-aminouracil6-amino-3-met3-methyl-6-amino-uracilAM20090180JGAVPFNFAUWIJY-UHFFFAOYSA-N
Database identifiers
- CAS
21236-97-5- PubChem CID
- 816907
- DTXSID
DTXSID30355712- EC Number
- 962-760-8
- Nikkaji
- J904.558I
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 350 · 350-352°C
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Sealed in dry,2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly), Water
- form
- Solid
- pka
- 8.94 · 8.94±0.40(Predicted)
- color
- Off-White to Pale Yellow
- InChI
- InChI=1S/C5H7N3O2/c1-8-4(9)2-3(6)7-5(8)10/h2H,6H2,1H3,(H,7,10)
- InChIKey
- JGAVPFNFAUWIJY-UHFFFAOYSA-N
- SMILES
- C1(=O)NC(N)=CC(=O)N1C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338-P302+P352-P321-P405-P501
- Risk Statements
- 20 · 20/21/22
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)
Safety data
- hs_code
- 29335990
- risk_code
- 20/21/22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 24/25-36/37
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338-P302+P352-P321-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
2 records
Compound notes
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