2-Pyrimidinamine, 4,6-difluoro-N-propyl-

HCID 9793978

Notes Reactions

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Basic information

CAS: 130866-82-9
Standard SMILES: CCCNc1nc(F)cc(F)n1
InChIKey: ZHCKTFLFPMGSDY-UHFFFAOYSA-N
Molecular formula: C7H9F2N3
Average molar mass: 173.16 g/mol
Monoisotopic mass: 173.07645373

Names & identifiers

Preferred name: 2-Pyrimidinamine, 4,6-difluoro-N-propyl-
IUPAC: 4,6-difluoro-N-propylpyrimidin-2-amine

Names & synonyms

130866-82-94,6-difluoro-N-propylpyrimidin-2-amine2-Pyrimidinamine, 4,6-difluoro-N-propyl-SCHEMBL9340473DTXSID40430746ZHCKTFLFPMGSDY-UHFFFAOYSA-N4,6-difluoro-2-n-propylaminopyrimidine

Database identifiers

CAS: 130866-82-9
PubChem CID: 9793978
DTXSID: DTXSID40430746
Nikkaji: J834.162A

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 37.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 12
Formal charge: 0
Complexity: 124

Related reactions

2 records

New reaction record

HRID 212472As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 1085888As productuspto-grants-1991_04

Compound notes

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