chempirical

2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine

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

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

8 names
  • N-(2-Methyl-5-nitrophenyl)-4-(3-pyridinyl)-2-pyrimidinamine
  • 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 2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine

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

Imatinib amine152460-10-165 % similar 4-Methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)benzoic acid641569-94-061 % 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 4-(Chloromethyl)-N-(4-methyl-3-((4-(3-pyridinyl)-2-pyrimidinyl)amino)phenyl)benzamide404844-11-752 % similar N-Desmethyl imatinib404844-02-649 % similar Imatinib152459-95-548 % similar 4-[(4-Methyl-4-oxidopiperazin-4-ium-1-yl)methyl]-N-[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]benzamide571186-91-947 % similar

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

Elsewhere

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