Basic information
- CAS
6642-31-5- Standard SMILES
Cn1c(N)cc(=O)n(C)c1=O- InChIKey
VFGRNTYELNYSKJ-UHFFFAOYSA-N- Molecular formula
- C6H9N3O2
- Average molar mass
- 155.15 g/mol
- Monoisotopic mass
- 155.06947653
Overview
structure in first source
Names & identifiers
- Preferred name
- 6-Amino-1,3-dimethyluracil
- IUPAC
- 6-amino-1,3-dimethylpyrimidine-2,4-dione
- English name
- 6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
- Molecular formula
- C6H9N3O2
- Molecular weight
- 155.15
Names & synonyms
6-Amino-1,3-dimethyluracil6642-31-56-Amino-1,3-dimethyl uracil2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-DTXSID4074350RefChem:104160DTXCID5044811229-662-06-amino-1,3-dimethylpyrimidine-2,4(1H,3H)-dione6-Amino-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione1,3-Dimethyl-6-amino-uracilUracil, 6-amino-1,3-dimethyl-
Show more names
6-AMINO-1,3-DIMETHYLURICILAURORA KA-4912Uradil impurity 42TIMTEC-BB SBB004028AminodimethyluracilSPECS AB-323/25048015Dimethyl- 6-aminouracilChlorpyrifos Impurity 21
6-Amino-1,3-dimethyl-2,4(1H,3H)-pyrimidinedioneMFCD000065521,3-dimethyl-6-aminouracilAI3-524496-amino-1,3-dimethylpyrimidine-2,4-dioneOprea1_258982SCHEMBL238576-amino-1,3-dimethyl-pyrimidine-2,4-dione
Database identifiers
- CAS
6642-31-5- PubChem CID
- 81152
- DTXSID
DTXSID4074350- EC Number
- 229-662-0
- Nikkaji
- J49.015F
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 246
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Physical DescriptionLarge Crystals; Dry Powder
Physicochemical properties
- Melting point
- 295 °C · 295 °C (dec.) (lit.)
- Boiling point
- 243.1 · 243.1±43.0 °C(Predicted)
- Density
- 1.288 · 1.288±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- 6 g/l · 6g/l
- form
- Solid
- pka
- 5.17 · 5.17±0.70(Predicted)
- color
- Pale Beige
- PH
- 6.9 · 6.9 (100g/l, H2O, 20℃)
- Water Solubility
- 7.06 g/L · 7.06g/L(25 ºC)
- InChI
- 1S/C6H9N3O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,7H2,1-2H3
- InChIKey
- VFGRNTYELNYSKJ-UHFFFAOYSA-N
- SMILES
- CN1C(N)=CC(=O)N(C)C1=O
- LogP
- -0.4 at · -0.4 at 20℃
- CAS DataBase Reference
- 6642 · 6642-31-5(CAS DataBase Reference)
- EPA Substance Registry System
- 2 · 2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl- (6642-31-5)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 22 · 22-26-36/37/39
- WGK Germany
- 1 · 1
- RTECS
- 8755000 · YQ8755000
- TSCA
- TSCA listed
- HS Code
- 29335990 · 29335990
- Storage Class
- 11 · 11 - Combustible Solids
- REACH Registrations
- Active
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 98.2% (164 of 167) of all reports.
Not Classified
Aggregated GHS information provided per 167 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: 2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-
2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Status: Active Update: 18-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/10736
2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesNot Classified
Safety data
- wgk
- 1
- tsca
- TSCA listed
- rtecs
- YQ8755000
- hs_code
- 29335990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 22-26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302+H312+H332
- REACH Registrations
- Active
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Chemistry & industry
Uses & manufacturing
U.S. Production2023: 73,194 lb
Consumer UsesHeat stabilizer
Industry UsesOther
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing
2,4(1H,3H)-Pyrimidinedione, 6-amino-1,3-dimethyl-: ACTIVE
Applications
Uses6-Amino-1,3-dimethyluracil is used as a reagent in the synthesis of new pyrimidine and caffeine derivatives that display highly potential antitumor activity. It is also used as a starting material in the synthesis of fused pyrido-pyrimidines.
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]
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Related reactions
21 records
Compound notes
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