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17321-94-7 | 2-Pyrimidinamine, 4-(1,1-dimethylethyl)-
CAS No: 17321-94-7 Catalog No: AG001YPQ MDL No:MFCD01646229
Product Description
Catalog Number:
AG001YPQ
Chemical Name:
2-Pyrimidinamine, 4-(1,1-dimethylethyl)-
CAS Number:
17321-94-7
Molecular Formula:
C8H13N3
Molecular Weight:
151.2089
MDL Number:
MFCD01646229
IUPAC Name:
4-tert-butylpyrimidin-2-amine
InChI:
InChI=1S/C8H13N3/c1-8(2,3)6-4-5-10-7(9)11-6/h4-5H,1-3H3,(H2,9,10,11)
InChI Key:
OKLVXPSKPCTBGL-UHFFFAOYSA-N
SMILES:
Nc1nccc(n1)C(C)(C)C
Properties
Complexity:
128
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.111g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
151.213g/mol
Monoisotopic Mass:
151.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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