chempirical

4-Chloro-6-(1-methylethyl)-2-pyrimidinamine

C7H10ClN3CAS 73576-33-7171.63 g/mol

Open in Covalent MOL file
ClNNHHN
Aryl halide

Properties

Molecular formula
C7H10ClN3
Molar mass
171.63 g/mol
Exact mass
171.0563 Da
Melting point
99–102 °C
logP
1.67Crippen estimate
Polar surface area
52.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Identifiers

CAS number
73576-33-7
SMILES
CC(C)c1cc(Cl)nc(=N)[nH]1
InChIKey
SPMMDFHRMVXLLO-UHFFFAOYSA-N
InChI
InChI=1S/C7H10ClN3/c1-4(2)5-3-6(8)11-7(9)10-5/h3-4H,1-2H3,(H2,9,10,11)

Weigh it out

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

Names and synonyms

3 names
  • 2-Pyrimidinamine, 4-chloro-6-(1-methylethyl)-
  • 2-Amino-4-chloro-6-isopropylpyrimidine
  • 4-Chloro-6-isopropylpyrimidin-2-amine

Work with 4-Chloro-6-(1-methylethyl)-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

2-Amino-4-chloro-6-methylpyrimidine5600-21-556 % similar 4,6-Dichloro-2-pyrimidinamine56-05-355 % similar 4-(4-Fluoro-1-naphthalenyl)-6-(1-methylethyl)-2-pyrimidinamine199864-87-444 % similar 2,6-Dichloro-4-pyrimidinamine10132-07-743 % similar 2-Amino-4,6-dichloro-1,3,5-triazine933-20-040 % similar 6-Chloro-2-(methylthio)pyrimidin-4-amine1005-38-538 % similar 2-Amino-6-chloro-4(1H)-pyrimidinone1194-21-437 % similar 4-Chloro-6-methoxy-2-pyrimidinamine5734-64-537 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook