Home Carboxys 2-[(6-CyclopropylaMino-pyriMidin-4-ylaMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester

2-[(6-CyclopropylaMino-pyriMidin-4-ylaMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester

CAS No.:
1353956-33-8
Catalog Number:
AG009I8E
Molecular Formula:
C18H29N5O2
Molecular Weight:
347.4552
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$162
- +
250mg
95%
In Stock USA
United States
$229
- +
Product Description
Catalog Number:
AG009I8E
Chemical Name:
2-[(6-CyclopropylaMino-pyriMidin-4-ylaMino)-Methyl]-piperidine-1-carboxylic acid tert-butyl ester
CAS Number:
1353956-33-8
Molecular Formula:
C18H29N5O2
Molecular Weight:
347.4552
MDL Number:
MFCD21098725
IUPAC Name:
tert-butyl 2-[[[6-(cyclopropylamino)pyrimidin-4-yl]amino]methyl]piperidine-1-carboxylate
InChI:
InChI=1S/C18H29N5O2/c1-18(2,3)25-17(24)23-9-5-4-6-14(23)11-19-15-10-16(21-12-20-15)22-13-7-8-13/h10,12-14H,4-9,11H2,1-3H3,(H2,19,20,21,22)
InChI Key:
RJNCSPDMCUBQBF-UHFFFAOYSA-N
SMILES:
O=C(N1CCCCC1CNc1ncnc(c1)NC1CC1)OC(C)(C)C
Properties
Complexity:
449  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
347.232g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
347.463g/mol
Monoisotopic Mass:
347.232g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties