Basic information
- CAS
4160-72-9- Standard SMILES
Cc1cn(C)c(=O)[nH]c1=O- InChIKey
GKMIDMKPBOUSBQ-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Overview
1,5-dimethyluracil is a pyrimidone that is uracil with methyl group substituents at positions 1 and 5. It has a role as a metabolite. It is functionally related to a uracil.
Names & identifiers
- Preferred name
- 1,5-Dimethyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 1,5-dimethylpyrimidine-2,4-dione
- English name
- 1-Methylthymine
- Molecular formula
- C6H8N2O2
- Molecular weight
- 140.14
Names & synonyms
1-Methylthymine4160-72-9Uracil, 1,5-dimethyl-1,5-dimethylpyrimidine-2,4-dione2,4(1H,3H)-Pyrimidinedione, 1,5-dimethyl-CN6A9BRM5HNSC-44824DTXSID301944261,5-DIMETHYL-2,4(1H,3H)-PYRIMIDINEDIONERefChem:76420DTXCID401169171,5-Dimethyluracil
Show more names
1MT1,5-dimethylpyrimidine-2,4-quinone1,5-dimethyl-2,4(3H)-pyrimidinedione
1,5-dimethylpyrimidine-2,4(1h,3h)-dione4-hydroxy-1,5-dimethyl-1,2-dihydropyrimidin-2-one1-MethylHThymine,[methyl-3H]NSC 44824Uracil,5-dimethyl-2,4-Dihydroxy-1,5-dimethylpyrimidineN1-METHYLTHYMINE
Database identifiers
- CAS
4160-72-9- PubChem CID
- 95961
- DTXSID
DTXSID30194426- ChEMBL
CHEMBL4586019- ChEBI
CHEBI:74765- UNII
- CN6A9BRM5H
- EC Number
- 853-778-6
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 49.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Henry's Law Constant
- 1.7 · 1.7×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- FDA UNII
- 6 A9BRM5H · CN6A9BRM5H
- Symbol(GHS)
- 8 · GHS08,GHS07
- Signal word
- Warning
- Hazard statements
- 351 · H351-H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501
- WGK Germany
- 3 · 3
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]
P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- Hazard statements
- H351-H319-H335-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers16 total
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
上海昕凯医药科技有限公司
Related reactions
20 records
Compound notes
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