2,4-Diamino-5-piperonylpyrimidine
Basic information
- CAS
13932-40-6- Standard SMILES
Nc1ncc(Cc2ccc3c(c2)OCO3)c(N)n1- InChIKey
YBIRDHJXPIORJB-UHFFFAOYSA-N- Molecular formula
- C12H12N4O2
- Average molar mass
- 244.25 g/mol
- Monoisotopic mass
- 244.09602564
Names & identifiers
- Preferred name
- 2,4-Diamino-5-piperonylpyrimidine
- IUPAC
- 5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamine
- English name
- 2,4-Diamino-5-[3,4-methylenedioxybenzyl]pyrimidine
- Molecular formula
- C12H12N4O2
- Molecular weight
- 244.25
Names & synonyms
2,4-Pyrimidinediamine, 5-(1,3-benzodioxol-5-ylmethyl)-13932-40-62,4-DIAMINO-5-PIPERONYLPYRIMIDINEPyrimidine, 2,4-diamino-5-piperonyl-UNII-TXE988T82WTXE988T82W5-(1,3-Benzodioxol-5-ylmethyl)-2,4-pyrimidinediamineNSC-1294092,4-Diamino-5-(3,4-methylenedioxybenzyl)pyrimidineWR-40070DTXSID101610105-piperonyl-2,4-diaminopyrimidine
Show more names
Famoxadone Impurity 9 (Fenamidone)2,4-Diamino-5-[3,4-methylenedioxybenzyl]pyrimidine
NSC 129409RefChem:82254DTXCID4083501YBIRDHJXPIORJB-UHFFFAOYSA-N5-(1,3-benzodioxol-5-ylmethyl)pyrimidine-2,4-diamineCHEMBL56129NSC129409SCHEMBL10488901
Database identifiers
- CAS
13932-40-6- PubChem CID
- 26341
- DTXSID
DTXSID10161010- ChEMBL
CHEMBL56129- UNII
- TXE988T82W
- EC Number
- 104-961-8
- Nikkaji
- J360.455A
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Experimental & physicochemical properties
LogP1.3
Physicochemical properties
- FDA UNII
- 988 T82W · TXE988T82W
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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