Basic information
- CAS
147-61-5- Standard SMILES
Cc1[nH]c(=O)[nH]c(=O)c1CO- InChIKey
XBAVGYMDOXCWQU-UHFFFAOYSA-N- Molecular formula
- C6H8N2O3
- Average molar mass
- 156.14 g/mol
- Monoisotopic mass
- 156.05349212
Overview
5-Hydroxymethyl-4-methyluracil is a pyrimidone.
Names & identifiers
- Preferred name
- 5-(Hydroxymethyl)-6-methyl-2,4(1H,3H)-pyrimidinedione
- IUPAC
- 5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione
- English name
- 5-HYDROXYMETHYL-6-METHYLURACIL
- Molecular formula
- C6H8N2O3
- Molecular weight
- 156.13932
Names & synonyms
147-61-5PENTOXYL4-Methyl-5-hydroxymethyluracil7LCS1FW4JVNSC-132025-(Hydroxymethyl)-6-methyl-2,4(1H,3H)-pyrimidinedioneDTXSID201635602,4(1H,3H)-Pyrimidinedione, 5-(hydroxymethyl)-6-methyl-RefChem:171501DTXCID5086051205-694-05-(hydroxymethyl)-6-methylpyrimidine-2,4(1H,3H)-dione
Show more names
pentoxilNSC 13202NSC 6672476-methyl-5-methylol-uracil5-(hydroxymethyl)-6-methyl-uraci
5-Hydroxymethyl-6-methyluracilPentoksil5-Hydroxymethyl-4-methyluracil5-(hydroxymethyl)-6-methyl-1H-pyrimidine-2,4-dione5-(hydroxymethyl)-6-methylpyrimidine-2,4-diolMFCD000231564-Methyl-5-oxymethyluracilUracil, 5-(hydroxymethyl)-6-methyl-
Database identifiers
- CAS
147-61-5- PubChem CID
- 8983
- DTXSID
DTXSID20163560- ChEBI
CHEBI:165843
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 244
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 280.35 °C · 280.35°C (rough estimate)
- Density
- 1.3889 · 1.3889 (rough estimate)
- refractive index
- 1.501 · 1.5010 (estimate)
- storage temp.
- 2 · 2-8°C
- FDA UNII
- 7 LCS1FW4JV · 7LCS1FW4JV
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- HazardClass
- IRRITANT
- Toxicity
- 50 · rat,LD50,oral,5gm/kg (5000mg/kg),Russian Pharmacology and Toxicology Vol. 51, Pg. 100, 1988.
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]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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
- Toxicity
- rat,LD50,oral,5gm/kg (5000mg/kg),Russian Pharmacology and Toxicology Vol. 51, Pg. 100, 1988.
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Downstream products
Suppliers27 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
韶远科技（上海）有限公司4000665055 · [email protected]
南通敏言生物医药科技有限公司0513-85921823 18662920231 · [email protected]
青岛海智微元生物科技有限公司18317699790 18317699790 · [email protected]
上海市凯瑜琳医药科技有限公司021-18721936-595 18721936595 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
北京建强伟业科技有限公司（FUSION弗珍试剂品牌）0531-88924771 15614660963 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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