2-Cyclopropyl-5-iodo-6-(methoxymethyl)-3,4-dihydropyrimidin-4-one
Basic information
- CAS
1540714-73-5- Standard SMILES
COCc1nc(C2CC2)[nH]c(=O)c1I- InChIKey
FXQUVAUSBICYLM-UHFFFAOYSA-N- Molecular formula
- C9H11IN2O2
- Average molar mass
- 306.1 g/mol
- Monoisotopic mass
- 305.98653
Names & identifiers
- Preferred name
- 2-Cyclopropyl-5-iodo-6-(methoxymethyl)-3,4-dihydropyrimidin-4-one
- IUPAC
- 2-cyclopropyl-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-one
Names & synonyms
2-cyclopropyl-5-iodo-6-(methoxymethyl)-3,4-dihydropyrimidin-4-one1540714-73-5RefChem:471173982-751-22-cyclopropyl-5-iodo-4-(methoxymethyl)-1H-pyrimidin-6-oneQLC71473AKOS015659579CS-0235987EN300-1663001Z30690170772-cyclopropyl-5-iodo-6-(methoxymethyl)-1H-pyrimidin-4-one
Database identifiers
- CAS
1540714-73-5- PubChem CID
- 136256641
- EC Number
- 982-751-2
Properties
Computed structural properties
- XLogP
- 0.1
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 332
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, 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 CategoriesAcute Tox. 4 (100%)
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Compound notes
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