Pyrimidine-2,4,5-triol

HCID 73268
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Basic information

CAS
20636-41-3
Standard SMILES
O=c1[nH]cc(O)c(=O)[nH]1
InChIKey
OFJNVANOCZHTMW-UHFFFAOYSA-N
Molecular formula
C4H4N2O3
Average molar mass
128.09 g/mol
Monoisotopic mass
128.02219199

Overview

5-hydroxyuracil is a hydroxypyrimidine. It is functionally related to a uracil.

Names & identifiers

Preferred name
Pyrimidine-2,4,5-triol
IUPAC
5-hydroxy-1H-pyrimidine-2,4-dione
English name
2,4,5-Trihydroxypyrimidine
Molecular formula
C4H4N2O3
Molecular weight
128.09

Names & synonyms

20636-41-35-hydroxy-2,4(1H,3H)-pyrimidinedione5-hydroxy-1H-pyrimidine-2,4-dionePyrimidine-2,4,5-triol2,4(1H,3H)-Pyrimidinedione, 5-hydroxy-5-HydroxyazouracilMLS0007368975-oxidanyl-1~{H}-pyrimidine-2,4-dione5-hydroxy-uracilODFEINECS 243-932-5Fluorouracil impurity B
Show more names
5-HYDROXYURACILISOBARBOTURIC ACIDISOBARBITURIC ACIDFluorouracil Impurity 152,4,5-Trihydroxypyrimidine2,4,5-TRIHYDROXYPYRIMIDINE USP/EP/BP5-hydroxypyrimidine-2,4(1H,3H)-dione
Fluorouracil Impurity 402,4,5-Pyrimidinetriol #SCHEMBL48366SCHEMBL149516SCHEMBL546180SCHEMBL5461815-hydroxy-1,2,3,4-tetrahydropyrimidine-2,4-dioneSCHEMBL4512381

Database identifiers

CAS
20636-41-3
PubChem CID
73268
DTXSID
DTXSID30174667
ChEMBL
CHEMBL1561505
ChEBI
CHEBI:29115
EC Number
243-932-5
Nikkaji
J139.222K

Properties

Computed structural properties

XLogP
-1.1
Topological polar surface area
78.4 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
9

Physicochemical properties

Melting point
300 °C · >300 °C (dec.)(lit.)
Density
1.605 · 1.605±0.06 g/cm3(Predicted)
storage temp.
Refrigerator
solubility
Aqueous Base (Slightly), DMSO (Slightly, Sonicated), Methanol (Slightly)
pka
8.55 · 8.55±0.10(Predicted)
form
crystalline

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, 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%)

Safety data

wgk
3
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
safety_code
26-36

Chemistry & industry

Applications

Uses5-Hydroxy-2,4(1H,3H)-pyrimidinedione is used preparation and purification of Fluorouracil.

Upstream & downstream products

Suppliers15 total

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]

Additional notes

DefinitionChEBI: 5-hydroxyuracil is a hydroxypyrimidine. It is functionally related to a uracil.

Related reactions

2 records
New reaction record

Compound notes

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