chempirical

N-(2-Methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine

C16H13N5O2CAS 152460-09-8307.31 g/mol

Open in Covalent MOL file
N+OO−NHNNN
NitroSecondary amine

Properties

Molecular formula
C16H13N5O2
Molar mass
307.31 g/mol
Exact mass
307.1069 Da
Melting point
194–195 °C
logP
3.50Crippen estimate
Polar surface area
93.8 Ų
H-bond donors / acceptors
1 / 6
Rotatable bonds
4

Identifiers

CAS number
152460-09-8
SMILES
Cc1ccc([N+](=O)[O-])cc1Nc1nccc(-c2cccnc2)n1
InChIKey
OJITWRFPRCHSMX-UHFFFAOYSA-N
InChI
InChI=1S/C16H13N5O2/c1-11-4-5-13(21(22)23)9-15(11)20-16-18-8-6-14(19-16)12-3-2-7-17-10-12/h2-10H,1H3,(H,18,19,20)

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Names and synonyms

7 names
  • 2-Pyrimidinamine, N-(2-methyl-5-nitrophenyl)-4-(3-pyridinyl)-
  • N-(2-Methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidineamine
  • (2-Methyl-5-nitrophenyl)[4-(pyridin-3-yl)pyrimidin-2-yl]amine
  • N-(2-Methyl-5-nitrophenyl)-4-(pyridin-3-yl)pyrimidin-2-amine
  • 2-Methyl-5-nitro-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzenamine
  • N-(5-Nitro-2-methylphenyl)-N-[4-(3-pyridyl)pyrimidin-2-yl]amine
  • N-(5-Nitro-2-methylphenyl)[4-(3-pyridyl)-2-pyrimidinyl]amine

Work with N-(2-Methyl-5-nitrophenyl)-4-(3-pyridinyl)-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

6-Methyl-N-[4-(pyridin-3-yl)pyrimidin-2-yl]benzene-1,3-diamine152460-10-165 % similar Methyl 4-methyl-3-[[4-(pyridin-3-yl)pyrimidin-2-yl]amino]benzoate917392-54-259 % similar Ethyl 4-methyl-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzoate641569-97-357 % similar Imatinib152459-95-548 % similar Imatinib mesylate220127-57-143 % similar Nilotinib641571-10-043 % similar 4-Nitro-O-xylene99-51-440 % similar 2,4-Dinitrotoluene121-14-238 % similar

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

Elsewhere

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