Home Aminos 2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)carbamate

2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)carbamate

CAS No.:
837422-57-8
Catalog Number:
AG00G3QH
Molecular Formula:
C32H36N6O4
Molecular Weight:
568.6660
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$100
- +
5mg
99%
1 week
United States
$168
- +
10mg
99%
1 week
United States
$223
- +
50mg
99%
1 week
United States
$404
- +
100mg
99%
1 week
United States
$682
- +
Product Description
Catalog Number:
AG00G3QH
Chemical Name:
2,6-dimethylphenyl N-(2,4-dimethoxyphenyl)-N-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)carbamate
CAS Number:
837422-57-8
Molecular Formula:
C32H36N6O4
Molecular Weight:
568.6660
MDL Number:
MFCD28138072
IUPAC Name:
(2,6-dimethylphenyl) N-(2,4-dimethoxyphenyl)-N-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]carbamate
InChI:
InChI=1S/C32H36N6O4/c1-22-7-6-8-23(2)30(22)42-32(39)38(27-14-13-26(40-4)21-28(27)41-5)29-15-16-33-31(35-29)34-24-9-11-25(12-10-24)37-19-17-36(3)18-20-37/h6-16,21H,17-20H2,1-5H3,(H,33,34,35)
InChI Key:
NBTNHSGBRGTFJS-UHFFFAOYSA-N
SMILES:
COc1cc(OC)ccc1N(C(=O)Oc1c(C)cccc1C)c1ccnc(n1)Nc1ccc(cc1)N1CCN(CC1)C
Properties
Complexity:
826  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
568.28g/mol
Formal Charge:
0
Heavy Atom Count:
42  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
568.678g/mol
Monoisotopic Mass:
568.28g/mol
Rotatable Bond Count:
9  
Topological Polar Surface Area:
92.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9  
Literature
Title Journal
Novel 2-aminopyrimidine carbamates as potent and orally active inhibitors of Lck: synthesis, SAR, and in vivo antiinflammatory activity. Journal of medicinal chemistry 20060810
Properties