Home Carboxys 2-Amino-6,7-dihydro-9h-pyrimido[5,4-e][1,4]diazepine-5,8-dicarboxylic acid di-tert-butyl ester

2-Amino-6,7-dihydro-9h-pyrimido[5,4-e][1,4]diazepine-5,8-dicarboxylic acid di-tert-butyl ester

CAS No.:
1250997-39-7
Catalog Number:
AG00HHXN
Molecular Formula:
C17H27N5O4
Molecular Weight:
365.4274
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$357
- +
250mg
95%
In Stock USA
United States
$693
- +
1g
95%
In Stock USA
United States
$1386
- +
5g
95%
In Stock USA
United States
$4158
- +
Product Description
Catalog Number:
AG00HHXN
Chemical Name:
2-Amino-6,7-dihydro-9h-pyrimido[5,4-e][1,4]diazepine-5,8-dicarboxylic acid di-tert-butyl ester
CAS Number:
1250997-39-7
Molecular Formula:
C17H27N5O4
Molecular Weight:
365.4274
MDL Number:
MFCD17016916
IUPAC Name:
ditert-butyl 2-amino-7,9-dihydro-6H-pyrimido[5,4-e][1,4]diazepine-5,8-dicarboxylate
InChI:
InChI=1S/C17H27N5O4/c1-16(2,3)25-14(23)21-7-8-22(15(24)26-17(4,5)6)12-9-19-13(18)20-11(12)10-21/h9H,7-8,10H2,1-6H3,(H2,18,19,20)
InChI Key:
HYSQSEQOLCFUJX-UHFFFAOYSA-N
SMILES:
N=c1[nH]cc2c(n1)CN(CCN2C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Properties
Complexity:
528  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
365.206g/mol
Formal Charge:
0
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
365.434g/mol
Monoisotopic Mass:
365.206g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
111A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties