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876521-21-0 | 2-Pyrimidinamine, 4-chloro-N-(1,1-dimethylethyl)-
CAS No: 876521-21-0 Catalog No: AG004HIV MDL No:
Product Description
Catalog Number:
AG004HIV
Chemical Name:
2-Pyrimidinamine, 4-chloro-N-(1,1-dimethylethyl)-
CAS Number:
876521-21-0
Molecular Formula:
C8H12ClN3
Molecular Weight:
185.6540
IUPAC Name:
N-tert-butyl-4-chloropyrimidin-2-amine
InChI:
InChI=1S/C8H12ClN3/c1-8(2,3)12-7-10-5-4-6(9)11-7/h4-5H,1-3H3,(H,10,11,12)
InChI Key:
ADONIPLUBLXNJF-UHFFFAOYSA-N
SMILES:
Clc1ccnc(n1)NC(C)(C)C
Properties
Complexity:
144
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
185.655g/mol
Monoisotopic Mass:
185.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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