6-Amino-1-Butyl-5-(Cyclopentylamino)pyrimidine-2,4(1h,3h)-Dione
Basic information
- CAS
568555-61-3- Standard SMILES
CCCCn1c(N)c(NC2CCCC2)c(=O)[nH]c1=O- InChIKey
QSWLLYQXNWLJDT-UHFFFAOYSA-N- Molecular formula
- C13H22N4O2
- Average molar mass
- 266.34 g/mol
- Monoisotopic mass
- 266.17427596
Names & identifiers
- Preferred name
- 6-Amino-1-Butyl-5-(Cyclopentylamino)pyrimidine-2,4(1h,3h)-Dione
- IUPAC
- 6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dione
Names & synonyms
568555-61-36-amino-1-butyl-5-(cyclopentylamino)-1,2,3,4-tetrahydropyrimidine-2,4-dione6-Amino-1-Butyl-5-(Cyclopentylamino)pyrimidine-2,4(1h,3h)-Dione6-Amino-1-butyl-5-cyclopentylamino-1H-pyrimidine-2,4-dione6-amino-1-butyl-5-(cyclopentylamino)pyrimidine-2,4-dioneTXA55561AKOS000123407EN300-05112G31659SR-01000042692SR-01000042692-1Q27463836
Show more names
Z55848849NIQ
Database identifiers
- CAS
568555-61-3- PubChem CID
- 2363705
- EC Number
- 129-940-0
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 87.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 399
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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…