6-Amino-5-[(2-methoxyethyl)amino]-1-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
Basic information
- CAS
554427-28-0- Standard SMILES
COCCNc1c(N)n(CC(C)C)c(=O)[nH]c1=O- InChIKey
YKINSBNYLJIUBX-UHFFFAOYSA-N- Molecular formula
- C11H20N4O3
- Average molar mass
- 256.3 g/mol
- Monoisotopic mass
- 256.15354051
Names & identifiers
- Preferred name
- 6-Amino-5-[(2-methoxyethyl)amino]-1-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione
- IUPAC
- 6-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione
- English name
- 2,4(1H,3H)-Pyrimidinedione, 6-amino-5-[(2-methoxyethyl)amino]-1-(2-methylpropyl)-
- Molecular formula
- C11H20N4O3
- Molecular weight
- 256.3
Names & synonyms
6-amino-5-[(2-methoxyethyl)amino]-1-(2-methylpropyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione554427-28-06-amino-5-(2-methoxyethylamino)-1-(2-methylpropyl)pyrimidine-2,4-dione6-Amino-1-isobutyl-5-(2-methoxy-ethylamino)-1H-pyrimidine-2,4-dioneEXA42728AKOS008962061EN300-05527G21258AB00719935-01SR-01000043609SR-01000043609-1Z55848306
Show more names
2,4(1H,3H)-Pyrimidinedione, 6-amino-5-[(2-methoxyethyl)amino]-1-(2-methylpropyl)-
Database identifiers
- CAS
554427-28-0- PubChem CID
- 2490480
- EC Number
- 127-212-7
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 96.7 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 365
Physicochemical properties
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 9.04 · 9.04±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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