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Basic information
- CAS
2434-53-9- Standard SMILES
Cn1c(N)cc(=O)[nH]c1=O- InChIKey
GZLZRPNUDBIQBM-UHFFFAOYSA-N- Molecular formula
- C5H7N3O2
- Average molar mass
- 141.13 g/mol
- Monoisotopic mass
- 141.05382648
Names & identifiers
- Preferred name
- 6-Amino-1-methyluracil
- IUPAC
- 6-amino-1-methylpyrimidine-2,4-dione
- English name
- 6-Amino-1-methyluracil
- Molecular formula
- C5H7N3O2
- Molecular weight
- 141.13
Names & synonyms
6-Amino-1-methyluracil2434-53-9EINECS 219-422-3DTXSID30179076NSC 7369RefChem:540098DTXCID60101567219-422-36-amino-1-methylpyrimidine-2,4(1H,3H)-dione6-amino-1-methylpyrimidine-2,4-dioneMFCD000753666-amino-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Show more names
Linaint-BCompound 1530-0259Valine Impurity 166-AMINO-1-METHYLURACILABOTEST-BB LT000806474-AMINO-3-METHYLURACILLigagliptin Impurity 66
2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-1-methyl-6-Aminouracil6-amino-1-methyl-1,3-dihydropyrimidine-2,4-dioneNSC73696-Amino-1-methyl-2,4-pyrimidinedione; 1-Methyl-6-aminouracil; 6-Amino-1-methyl-1H-pyrimidine-2,4-dione; 6-Amino-1-methyluracil; NSC 7369;6-amino-1-methyl-pyrimidine-2,4-dione6-Amino-1-methyl-1H-pyrimidine-2,4-dione6-Amino-1-methyluridine
Database identifiers
- CAS
2434-53-9- PubChem CID
- 75520
- DTXSID
DTXSID30179076- ChEMBL
CHEMBL89725- EC Number
- 219-422-3
- Nikkaji
- J216.075G
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
- 300 °C · 300 °C
- Density
- 1.339 · 1.339±0.06 g/cm3(Predicted)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Soluble in diluted sodium hydroxide solution.
- form
- powder to crystal
- pka
- 9.26 · 9.26±0.40(Predicted)
- color
- White to Almost white
- BRN
- 127771 · 127771
- InChI
- InChI=1S/C5H7N3O2/c1-8-3(6)2-4(9)7-5(8)10/h2H,6H2,1H3,(H,7,9,10)
- InChIKey
- GZLZRPNUDBIQBM-UHFFFAOYSA-N
- SMILES
- C1(=O)N(C)C(N)=CC(=O)N1
- CAS DataBase Reference
- 2434 · 2434-53-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
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 (87%): 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 (97.8%): 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)
Aggregated GHS information provided per 46 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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
Hazard Classes and CategoriesAcute Tox. 4 (87%)；Skin Irrit. 2 (100%)；Eye Irrit. 2 (100%)；STOT SE 3 (97.8%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29335990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26
Chemistry & industry
Applications
Uses6-Amino-1-methyluracil is known to exert inhibitory effects towards DNA repair glycosylase. It is also known to be used as a flame retardant.
Uses6-Amino-1-methyluracil may be used in the preparation of 1,1-di methyl-1H-spiro[pyrimido[4,5-b]quinoline-5,5-pyrrolo[2,3-d]pyrimidine]-2,2,4,4,6(1H,3H,3H,7H,1H)-pentaone, via reaction with isatin in the presence of catalytic p-toluene sulfonic acid.
General Description6-Amino-1-methyluracil is an amino derivative of uracil and its standard molar enthalpy of combustion has been evaluated. Host-guest complexation of 6-amino-1-methyluracil with tetrapropoxycalix[4]arene has been reported.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Related reactions
24 records
Compound notes
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