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1245648-59-2 | 4(3H)-PyriMidinone, 6-aMino-5-(2,2-diethoxyethyl)-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-
CAS No: 1245648-59-2 Catalog No: AG000MCD MDL No:
Product Description
Catalog Number:
AG000MCD
Chemical Name:
4(3H)-PyriMidinone, 6-aMino-5-(2,2-diethoxyethyl)-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-
CAS Number:
1245648-59-2
Molecular Formula:
C22H33N5O4
Molecular Weight:
431.5285
IUPAC Name:
4-amino-5-(2,2-diethoxyethyl)-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1H-pyrimidin-6-one
InChI:
InChI=1S/C22H33N5O4/c1-3-29-19(30-4-2)15-18-20(23)25-22(26-21(18)28)24-16-7-9-17(10-8-16)31-14-13-27-11-5-6-12-27/h7-10,19H,3-6,11-15H2,1-2H3,(H4,23,24,25,26,28)
InChI Key:
QPVONLHALDVSRS-UHFFFAOYSA-N
SMILES:
CCOC(Cc1c(N)nc([nH]c1=O)Nc1ccc(cc1)OCCN1CCCC1)OCC
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
431.253g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
431.537g/mol
Monoisotopic Mass:
431.253g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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