5H,6H,7H,8H-Imidazo[1,2-a]pyrimidine

C6H9N3CAS 67139-22-4123.16 g/mol

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NHNN
Secondary amine

Properties

Molecular formula
C6H9N3
Molar mass
123.16 g/mol
Exact mass
123.0796 Da
logP
0.70Crippen estimate
Polar surface area
29.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

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

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Identifiers

CAS number
67139-22-4
SMILES
C1CNC2=NC=CN2C1
InChIKey
VCZBRPRKZKPDQD-UHFFFAOYSA-N
InChI
InChI=1S/C6H9N3/c1-2-7-6-8-3-5-9(6)4-1/h3,5H,1-2,4H2,(H,7,8)
Characterization data

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

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.81 (d, J = 1.2 Hz, 1H), 6.65 (d, J = 1.2 Hz, 1H), 3.66 (t, J = 7.0 Hz, 2H), 3.66 (t, J = 7.0 Hz, 2H), 3.60 (br s, 1H), 2.07 (quint, J = 7.0 Hz, 2H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 158.7, 130.0, 120.8, 44.5, 44.5, 22.9.
[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.

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Names and synonyms

1 name
  • 5,6,7,8-Tetrahydroimidazo[1,2-A]pyrimidine

Work with 5H,6H,7H,8H-Imidazo[1,2-a]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

5,6,7,8-Tetrahydroimidazo(1,2-a)pyrazine91476-80-141 % similar 1-Butyl-2-methyl-1H-imidazole13435-22-839 % similar 2-Methyl-1H-imidazole-1-propanamine2258-21-138 % similar 1-Propyl-2-methylimidazole33214-18-533 % similar 2-Methyl-1H-imidazole-1-ethanol1615-15-232 % similar N-Ethyl-2-methylimidazole21202-52-831 % similar 1-Cyanoethyl-2-methylimidazole23996-55-630 % 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 4,5,6,7-Tetrahydro-1H-imidazo[4,5-C]pyridine6882-74-2 2-Amino-4,6-dimethyl pyrimidine767-15-7

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