4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine

C₁₇H₁₆FN₃CAS 199864-87-4281.33 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₇H₁₆FN₃
Molar mass: 281.33 g/mol
Exact mass: 281.1328 Da
logP: 3.97Crippen estimate
Polar surface area: 52.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

199864-87-4

SMILES

CC(C)c1cc(-c2ccc(F)c3ccccc23)nc(=N)[nH]1

InChIKey

ZZZQXCUPAJFVBN-UHFFFAOYSA-N

InChI

InChI=1S/C17H16FN3/c1-10(2)15-9-16(21-17(19)20-15)13-7-8-14(18)12-6-4-3-5-11(12)13/h3-10H,1-2H3,(H2,19,20,21)

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Names and synonyms

4 names

2-Pyrimidinamine, 4-(4-fluoro-1-naphthalenyl)-6-(1-methylethyl)-
2-Amino-4-(4-fluoronaphth-1-yl)-6-isopropylpyrimidine
RS 127445
MT 500

Work with 4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Chloro-6-(1-methylethyl)-2-pyrimidinamine73576-33-744 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook