N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine
Basic information
- CAS
79817-71-3- Standard SMILES
Nc1cccc(Nc2nc(F)nc(F)c2Cl)c1- InChIKey
XLRVZZPXDZWHEP-UHFFFAOYSA-N- Molecular formula
- C10H7ClF2N4
- Average molar mass
- 256.64 g/mol
- Monoisotopic mass
- 256.0327303
Names & identifiers
- Preferred name
- N-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine
- IUPAC
- 3-N-(5-chloro-2,6-difluoropyrimidin-4-yl)benzene-1,3-diamine
- English name
- N-(5-chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamine
- Molecular formula
- C10H7ClF2N4
- Molecular weight
- 256.6391864
Names & synonyms
79817-71-3N'-(5-Chloro-2,6-Difluoropyrimidin-4-ylBenzene-1,3-DiamineN-(5-Chloro-2,6-difluoro-4-pyrimidinyl)benzene-1,3-diamineEINECS 279-302-13-N-(5-chloro-2,6-difluoropyrimidin-4-yl)benzene-1,3-diamineN-(5-Chloro-2,6-difluoro-4-pyrimidinyl)-1,3-benzenediamineTB7NXP6QN3SCHEMBL10432935XLRVZZPXDZWHEP-UHFFFAOYSA-NDTXSID601000774N'-(5-chloro-2,6-difluoropyrimidin-4-yl)benzene-1,3-diamineNS00060464
Show more names
N1-(5-Chloro-2,6-difluoro-4-pyrimidinyl)-1,3-benzenediamine1,3-Benzenediamine, N1-(5-chloro-2,6-difluoro-4-pyrimidinyl)-3-[(5-Chloro-2,6-difluoropyrimidin-4(3H)-ylidene)amino]aniline
Database identifiers
- CAS
79817-71-3- PubChem CID
- 3018883
- DTXSID
DTXSID601000774- UNII
- TB7NXP6QN3
- EC Number
- 279-302-1
- Nikkaji
- J320.185F
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 63.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 258
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Compound notes
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