200,000+ products from a single source!
sales@angenechem.com
876521-23-2 | 2-Pyrimidinamine, N-(1,1-dimethylethyl)-4-[(4-fluorophenyl)ethynyl]-
CAS No: 876521-23-2 Catalog No: AG004O1U MDL No:
Product Description
Catalog Number:
AG004O1U
Chemical Name:
2-Pyrimidinamine, N-(1,1-dimethylethyl)-4-[(4-fluorophenyl)ethynyl]-
CAS Number:
876521-23-2
Molecular Formula:
C16H16FN3
Molecular Weight:
269.3167
IUPAC Name:
N-tert-butyl-4-[2-(4-fluorophenyl)ethynyl]pyrimidin-2-amine
InChI:
InChI=1S/C16H16FN3/c1-16(2,3)20-15-18-11-10-14(19-15)9-6-12-4-7-13(17)8-5-12/h4-5,7-8,10-11H,1-3H3,(H,18,19,20)
InChI Key:
ISXQUWSDJKMSPH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C#Cc1ccnc(n1)NC(C)(C)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.133g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.323g/mol
Monoisotopic Mass:
269.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.