6-Amino-3-methyl-1-(2-methyl-2-propen-1-yl)-2,4(1H,3H)-pyrimidinedione

HCID 11071
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Basic information

CAS
550-28-7
Standard SMILES
C=C(C)Cn1c(N)cc(=O)n(C)c1=O
InChIKey
FXNYSZHYMGWWEZ-UHFFFAOYSA-N
Molecular formula
C9H13N3O2
Average molar mass
195.22 g/mol
Monoisotopic mass
195.10077667

Names & identifiers

Preferred name
6-Amino-3-methyl-1-(2-methyl-2-propen-1-yl)-2,4(1H,3H)-pyrimidinedione
IUPAC
6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione
English name
amisometradine
Molecular formula
C9H13N3O2
Molecular weight
195.22

Names & synonyms

AMISOMETRADINE550-28-7RolictonAmisometradinaAmisometradinum6-Amino-3-methyl-1-(2-methylallyl)-2,4(1H,3H)-pyrimidinedioneNSC-70479Amisometradine [INN:BAN:NF]30973N61ZFDTXSID402035382,4(1H,3H)-Pyrimidinedione, 6-amino-3-methyl-1-(2-methyl-2-propenyl)-Amisometradine (INN:BAN:NF)
Show more names
6-Amino-3-methyl-1-(2-methylallyl)uracil6-amino-3-methyl-1-(2-methylallyl)pyrimidine-2,4-quinone6-amino-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione6-azanyl-3-methyl-1-(2-methylprop-2-enyl)pyrimidine-2,4-dione6-Amino-3-methyl-1-(2-methyl-2-propenyl)pyrimidine-2,4(1H,3H)-dione2,4(1H,3H)-Pyrimidinedione, 6-amino-3-methyl-1-(2-methyl-2-propen-1-yl)-
RefChem:1073788DTXCID701260296-Amino-3-methyl-1-(2-methyl-2-propen-1-yl)-2,4(1H,3H)-pyrimidinedione208-980-3AminoisometradineAmisometradinAminoisometradin6-amino-3-methyl-1-(2-methylprop-2-en-1-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

Database identifiers

CAS
550-28-7
PubChem CID
11071
DTXSID
DTXSID40203538
ChEMBL
CHEMBL2105979
ChEBI
CHEBI:134852
UNII
30973N61ZF
EC Number
208-980-3
Nikkaji
J6.711C

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
66.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14

Experimental & physicochemical properties

Kovats Retention Index2021

Physicochemical properties

Melting point
175 ° · 175°
Boiling point
331.89 °C · 331.89°C (rough estimate)
Density
1.1985 · 1.1985 (rough estimate)
refractive index
1.51 · 1.5100 (estimate)
storage temp.
-20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
solubility
DMSO (Slightly), Methanol (Slightly)

Chemistry & industry

Applications

UsesAmisometradine is an oral diuretic.

Upstream & downstream products

Suppliers10 total

艾吉析科技（上海）有限公司17717235263 · [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]
玺标（上海）科技有限公司18512111473 18512111473 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]

Additional notes

DefinitionChEBI: Amisometradine is a pyrimidone.

Related reactions

9 records
New reaction record

Compound notes

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