2-Pyrimidinamine, 4-methyl-5-nitro-6-(phenylmethoxy)-
Basic information
- CAS
160948-33-4- Standard SMILES
Cc1nc(N)nc(OCc2ccccc2)c1[N+](=O)[O-]- InChIKey
QRPFYXCKZRCRTD-UHFFFAOYSA-N- Molecular formula
- C12H12N4O3
- Average molar mass
- 260.25 g/mol
- Monoisotopic mass
- 260.09094026
Names & identifiers
- Preferred name
- 2-Pyrimidinamine, 4-methyl-5-nitro-6-(phenylmethoxy)-
- IUPAC
- 4-methyl-5-nitro-6-phenylmethoxypyrimidin-2-amine
- English name
- 2-Pyrimidinamine, 4-methyl-5-nitro-6-(phenylmethoxy)-
- Molecular formula
- C12H12N4O3
- Molecular weight
- 260.25
Names & synonyms
2-Pyrimidinamine, 4-methyl-5-nitro-6-(phenylmethoxy)-RefChem:483427160948-33-44-(benzyloxy)-6-methyl-5-nitropyrimidin-2-amine2-Amino-4-benzyloxy-6-methyl-5-nitropyrimidine4-methyl-5-nitro-6-phenylmethoxypyrimidin-2-amine2-Pyrimidinamine,4-methyl-5-nitro-6-(phenylmethoxy)-CHEMBL121414SCHEMBL4068099DTXSID20437278MFCD25959683AKOS037646476
Show more names
4-(benzyloxy)-6-methyl-5-nitropyrimidin-2-amine(WXC06551)
AS-69077DB-121980CS-0328608W135344-benzyloxy-6-methyl-5-nitro-pyrimidin-2-amine
Database identifiers
- CAS
160948-33-4- PubChem CID
- 10244340
- DTXSID
DTXSID20437278- ChEMBL
CHEMBL121414- Nikkaji
- J634.531J
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- Boiling point
- 518.1 · 518.1±60.0 °C(Predicted)
- Density
- 1.362 · 1.362±0.06 g/cm3(Predicted)
- pka
- 2.69 · 2.69±0.10(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory Information2-Pyrimidinamine, 4-methyl-5-nitro-6-(phenylmethoxy)-: Does not have an individual approval but may be used under an appropriate group standard
Related reactions
9 records
Compound notes
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