Basic information
- CAS
112675-52-2- Standard SMILES
c1ccc(-c2ccnc(Nc3cccc(-n4ccnc4)c3)n2)nc1- InChIKey
SERDALJOTOQTDL-UHFFFAOYSA-N- Molecular formula
- C18H14N6
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.12799445
Overview
structure given in first source
Names & identifiers
- Preferred name
- N-(3-(1H-imidazol-1-yl)phenyl)-4-(2-pyridinyl)-2-pyrimidinamine
- IUPAC
- N-(3-imidazol-1-ylphenyl)-4-pyridin-2-ylpyrimidin-2-amine
- English name
- N-(3-(1H-imidazol-1-yl)phenyl)-4-(2-pyridinyl)-2-pyrimidinamine
- Molecular formula
- C18H14N6
- Molecular weight
- 314.34
Names & synonyms
112675-52-2N-(3-(1H-Imidazol-1-yl)phenyl)-4-(2-pyridinyl)-2-pyrimidinamineDTXSID60150136N-[3-(1H-Imidazol-1-yl)phenyl]-4-(2-pyridinyl)-2-pyrimidinamineNIMP-PPARefChem:161865DTXCID2072627n-[3-(1h-imidazol-1-yl)phenyl]-4-(pyridin-2-yl)pyrimidin-2-amineSERDALJOTOQTDL-UHFFFAOYSA-NCHEMBL89928SCHEMBL74659152-Pyrimidinamine, N-(3-(1H-imidazol-1-yl)phenyl)-4-(2-pyridinyl)-
Show more names
2-Pyrimidinamine, N-[3-(1H-imidazol-1-yl)phenyl]-4-(2-pyridinyl)-
Database identifiers
- CAS
112675-52-2- PubChem CID
- 163890
- DTXSID
DTXSID60150136- ChEMBL
CHEMBL89928- Nikkaji
- J563.665E
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 392
Related reactions
1 records
Compound notes
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