chempirical

4-Amino-2-methyl-5-pyrimidinecarbonitrile

C6H6N4CAS 698-29-3134.14 g/mol

Open in Covalent MOL file
NNHNHN
Nitrile

Properties

Molecular formula
C6H6N4
Molar mass
134.14 g/mol
Exact mass
134.0592 Da
Melting point
249 °C
logP
0.07Crippen estimate
Polar surface area
76.3 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
0

Identifiers

CAS number
698-29-3
SMILES
Cc1nc(=N)c(C#N)c[nH]1
InChIKey
YBPNIILOUYAGIF-UHFFFAOYSA-N
InChI
InChI=1S/C6H6N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,1H3,(H2,8,9,10)

Weigh it out

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

Names and synonyms

6 names
  • 5-Pyrimidinecarbonitrile, 4-amino-2-methyl-
  • 4-Amino-5-cyano-2-methylpyrimidine
  • 5-Cyano-4-amino-2-methylpyrimidine
  • 2-Methyl-4-amino-5-cyanopyrimidine
  • NSC 459
  • Pynitrile

Work with 4-Amino-2-methyl-5-pyrimidinecarbonitrile

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-Amino-2-bromo-5-pyrimidinecarbonitrile94741-70-562 % similar 4-Amino-5-cyanopyrimidine16357-69-049 % similar 5-Cyanouracil4425-56-338 % similar 3-Amino-4-cyanopyrazole16617-46-236 % similar 1H-Pyrrolo[2,3-B]pyridine-3-carbonitrile4414-89-534 % similar 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-733 % similar 2-Amino-5-cyanopyridine4214-73-732 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-931 % similar

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

Same formula

7-Deazaadenine1500-85-2 1-Aminobenzotriazole1614-12-6 2,2′-Biimidazole492-98-8

Elsewhere

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