2-Amino-4,6-dimethyl pyrimidine

C6H9N3CAS 767-15-7123.16 g/mol

Open in Covalent MOL file
NNH2N
Primary amine

Properties

Molecular formula
C6H9N3
Molar mass
123.16 g/mol
Exact mass
123.0796 Da
Melting point
151–153 °C
logP
0.68Crippen estimate
Polar surface area
51.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
767-15-7
SMILES
CC1=CC(=NC(=N1)N)C
InChIKey
IDQNBVFPZMCDDN-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3/c1-4-3-5(2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.35 (s, 1H), 3.60 (br s, 2H), 2.55 (s, 6H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 176.4, 166.9, 113.3, 23.2.
[M + H]+
[M + H]+ Calcd for C6H10N3 124.0869
[M + Na]+
[M + Na]+ Calcd for C6H9N3Na 146.0689
[M − H]−
[M − H]− Calcd for C6H8N3 122.0724
Elemental analysis
Anal. Calcd for C6H9N3: C, 58.51; H, 7.37; N, 34.12.

Weigh it out

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Names and synonyms

7 names
  • 2-Amino-4,6-dimethylpyrimidine
  • 2-Pyrimidinamine, 4,6-dimethyl-
  • Pyrimidine, 2-amino-4,6-dimethyl-
  • 4,6-Dimethyl-2-pyrimidinamine
  • 4,6-Dimethyl-2-aminopyrimidine
  • NSC 3278
  • (4,6-Dimethylpyrimidin-2-yl)amine

Work with 2-Amino-4,6-dimethyl 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

2-Amino-4-chloro-6-methylpyrimidine5600-21-567 % similar 4-Hydrazino-6-methylpyrimidin-2-amine28840-64-464 % similar 4-Methoxy-6-methylpyrimidin-2-amine7749-47-562 % similar 2,6-Dimethyl-4-pyridinamine3512-80-955 % similar 2-Amino-4-methylpyrimidine108-52-152 % similar 2-Chloro-4,6-dimethylpyrimidine4472-44-050 % similar 2-Amino-4,6-dimethylpyridine5407-87-446 % similar 2,4,6-Triaminopyrimidine1004-38-245 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

IDPN (chemical)111-94-4 3,6-Dimethylpyrazin-2-amine13134-38-8 2-(Aminomethyl)-5-methylpyrazine132664-85-8 3-Cyclopropyl-1H-pyrazol-5-amine175137-46-9 2,6-Dimethyl-4-pyrimidinamine461-98-3 4-Methylpyridine-2,3-diamine53929-59-2 5H,6H,7H,8H-Imidazo[1,2-a]pyrimidine67139-22-4 4,5,6,7-Tetrahydro-1H-imidazo[4,5-C]pyridine6882-74-2

Elsewhere

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