2-Chloro-N-isopropyl-5-nitropyrimidin-4-amine
Completing data — refresh the page later to see the latest
Basic information
- CAS
890094-38-9- Standard SMILES
CC(C)Nc1nc(Cl)ncc1[N+](=O)[O-]- InChIKey
XGDPRAOPHIPUTB-UHFFFAOYSA-N- Molecular formula
- C7H9ClN4O2
- Average molar mass
- 216.62 g/mol
- Monoisotopic mass
- 216.0414032
Names & identifiers
- Preferred name
- 2-Chloro-N-isopropyl-5-nitropyrimidin-4-amine
- IUPAC
- 2-chloro-5-nitro-N-propan-2-ylpyrimidin-4-amine
- English name
- (2-chloro-5-nitro-pyrimidin-4-yl)-isopropyl-amine
- Molecular formula
- C7H9ClN4O2
- Molecular weight
- 216.62
Names & synonyms
2-Chloro-N-isopropyl-5-nitropyrimidin-4-amine890094-38-9MFCD074402142-chloro-5-nitro-N-propan-2-ylpyrimidin-4-amine(2-chloro-5-nitro-pyrimidin-4-yl)-isopropyl-amine2-Chloro-N-(1-methylethyl)-5-nitro-4-pyrimidinamine2-chloro-5-nitro-N-(propan-2-yl)pyrimidin-4-amineSCHEMBL1496408XGDPRAOPHIPUTB-UHFFFAOYSA-NDTXSID601225336SC5108AKOS000320346
Show more names
4-Pyrimidinamine, 2-chloro-N-(1-methylethyl)-5-nitro-
SB55505DS-19468SY2747312-chloro-4-isopropylamino-5-nitropyrimidineDB-303317CS-01613562-chloro-N-isopropyl-5-nitro-pyrimidin-4-amineF519546
Database identifiers
- CAS
890094-38-9- PubChem CID
- 7147235
- DTXSID
DTXSID601225336
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 407 · 407.0±30.0 °C(Predicted)
- Density
- 1.42 · 1.420±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- pka
- -0.65 · -0.65±0.10(Predicted)
- Appearance
- Light yellow to yellow Solid
- InChI
- InChI=1S/C7H9ClN4O2/c1-4(2)10-6-5(12(13)14)3-9-7(8)11-6/h3-4H,1-2H3,(H,9,10,11)
- InChIKey
- XGDPRAOPHIPUTB-UHFFFAOYSA-N
- SMILES
- C1(Cl)=NC=C([N+]([O-])=O)C(NC(C)C)=N1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
1 records
Compound notes
Loading…