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1250621-57-8 | 4-Pyrimidinamine, 2-(1,1-dimethylethyl)-6-methyl-
CAS No: 1250621-57-8 Catalog No: AG000N2U MDL No:MFCD16691274
Product Description
Catalog Number:
AG000N2U
Chemical Name:
4-Pyrimidinamine, 2-(1,1-dimethylethyl)-6-methyl-
CAS Number:
1250621-57-8
Molecular Formula:
C9H15N3
Molecular Weight:
165.2355
MDL Number:
MFCD16691274
IUPAC Name:
2-tert-butyl-6-methylpyrimidin-4-amine
InChI:
InChI=1S/C9H15N3/c1-6-5-7(10)12-8(11-6)9(2,3)4/h5H,1-4H3,(H2,10,11,12)
InChI Key:
BKJUJWITMMOAQP-UHFFFAOYSA-N
SMILES:
Cc1cc(N)nc(n1)C(C)(C)C
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.127g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.24g/mol
Monoisotopic Mass:
165.127g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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