1,3,6-Trimethyl-2,4(1H,3H)-pyrimidinedione

HCID 26075
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Basic information

CAS
13509-52-9
Standard SMILES
Cc1cc(=O)n(C)c(=O)n1C
InChIKey
GRDXZRWCQWDLPG-UHFFFAOYSA-N
Molecular formula
C7H10N2O2
Average molar mass
154.17 g/mol
Monoisotopic mass
154.07422756

Names & identifiers

Preferred name
1,3,6-Trimethyl-2,4(1H,3H)-pyrimidinedione
IUPAC
1,3,6-trimethylpyrimidine-2,4-dione
English name
1,3,4-Trimethyl uracil
Molecular formula
C7H10N2O2
Molecular weight
154.17

Names & synonyms

13509-52-91,3,6-Trimethyluracil1,3,6-TRIMETHYL-2,4(1H,3H)-PYRIMIDINEDIONEDTXSID00159249RefChem:72400DTXCID7081740236-838-01,3,6-trimethylpyrimidine-2,4(1H,3H)-dione1,3,4-Trimethyl uracil1,3,6-trimethylpyrimidine-2,4-dione1,3,4-Trimethyluracil2,4(1H,3H)-Pyrimidinedione, 1,3,6-trimethyl-
Show more names
1,3,4-TRIMETHYL URACI1,3,6-Trimethyl uracil, >=95%
Uracil, 1,3,6-trimethyl-MFCD002343541,3,6-trimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione1,3,6-trimethyl-1,3-dihydropyrimidine-2,4-dioneEINECS 236-838-01,3,6-Trimethyl-1H,3H-pyrimidine-2,4-dioneSCHEMBL91340SCHEMBL10934151

Database identifiers

CAS
13509-52-9
PubChem CID
26075
DTXSID
DTXSID00159249
EC Number
236-838-0
Nikkaji
J4.512H

Properties

Computed structural properties

XLogP
-0.2
Topological polar surface area
40.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point
114 · 114-115℃
Boiling point
222.1 · 222.1±23.0℃ (760 Torr)
Density
1.16 · 1.160±0.06 g/cm3 (20 ºC 760 Torr)
Flash point
87.8 · 87.8±15.0℃
storage temp.
Inert atmosphere,Room Temperature
pka
-2.01 · -2.01±0.40(Predicted)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers35 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

Related reactions

16 records
New reaction record

Compound notes

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