N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide
Basic information
- CAS
730950-29-5- Standard SMILES
COCCCN(C(=O)CCl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O- InChIKey
LLJXFNYPLBSFNK-UHFFFAOYSA-N- Molecular formula
- C17H21ClN4O4
- Average molar mass
- 380.8 g/mol
- Monoisotopic mass
- 380.1251329
Names & identifiers
- Preferred name
- N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide
- IUPAC
- N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide
Names & synonyms
N-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamide730950-29-5RefChem:828206963-299-5N-(6-Amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-2-chloro-N-(3-methoxy-propyl)-acetamideN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-chloro-N-(3-methoxypropyl)acetamideAKOS008030074EN300-06209G38514SR-01000046963SR-01000046963-1Z56943577
Database identifiers
- CAS
730950-29-5- PubChem CID
- 2393685
- EC Number
- 963-299-5
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 575
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%)
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Compound notes
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