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137871-20-6 | 2(1H)-Pyrimidinone, 1-(2-aminoethyl)-4-[(triphenylmethyl)amino]-
CAS No: 137871-20-6 Catalog No: AG00140F MDL No:
Product Description
Catalog Number:
AG00140F
Chemical Name:
2(1H)-Pyrimidinone, 1-(2-aminoethyl)-4-[(triphenylmethyl)amino]-
CAS Number:
137871-20-6
Molecular Formula:
C25H24N4O
Molecular Weight:
396.4843
IUPAC Name:
1-(2-aminoethyl)-4-(tritylamino)pyrimidin-2-one
InChI:
InChI=1S/C25H24N4O/c26-17-19-29-18-16-23(27-24(29)30)28-25(20-10-4-1-5-11-20,21-12-6-2-7-13-21)22-14-8-3-9-15-22/h1-16,18H,17,19,26H2,(H,27,28,30)
InChI Key:
RGHBZBPTJLDUKC-UHFFFAOYSA-N
SMILES:
NCCn1ccc(nc1=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1
NSC Number:
639790
Properties
Complexity:
580
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.195g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
396.494g/mol
Monoisotopic Mass:
396.195g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
70.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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