Home Aminos 6-amino-7-[(3-hydroxybutyl)amino]-3,4-dihydroquinazolin-4-one

6-amino-7-[(3-hydroxybutyl)amino]-3,4-dihydroquinazolin-4-one

CAS No.:
1427379-22-3
Catalog Number:
AG01A49J
Molecular Formula:
C12H16N4O2
Molecular Weight:
248.2810
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Product Description
Catalog Number:
AG01A49J
Chemical Name:
6-amino-7-[(3-hydroxybutyl)amino]-3,4-dihydroquinazolin-4-one
CAS Number:
1427379-22-3
Molecular Formula:
C12H16N4O2
Molecular Weight:
248.2810
MDL Number:
MFCD20123782
IUPAC Name:
6-amino-7-(3-hydroxybutylamino)-3H-quinazolin-4-one
InChI:
InChI=1S/C12H16N4O2/c1-7(17)2-3-14-11-5-10-8(4-9(11)13)12(18)16-6-15-10/h4-7,14,17H,2-3,13H2,1H3,(H,15,16,18)
InChI Key:
JJBANPIKEUTMGO-UHFFFAOYSA-N
SMILES:
CC(CCNc1cc2nc[nH]c(=O)c2cc1N)O
Properties
Complexity:
334  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.127g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
248.286g/mol
Monoisotopic Mass:
248.127g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties