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1138473-53-6 | 4(3H)-PyriMidinone, 5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-
CAS No: 1138473-53-6 Catalog No: AG0009W1 MDL No:
Product Description
Catalog Number:
AG0009W1
Chemical Name:
4(3H)-PyriMidinone, 5-Methyl-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-
CAS Number:
1138473-53-6
Molecular Formula:
C17H22N4O2
Molecular Weight:
314.3822
IUPAC Name:
5-methyl-2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-1H-pyrimidin-6-one
InChI:
InChI=1S/C17H22N4O2/c1-13-12-18-17(20-16(13)22)19-14-4-6-15(7-5-14)23-11-10-21-8-2-3-9-21/h4-7,12H,2-3,8-11H2,1H3,(H2,18,19,20,22)
InChI Key:
SJKDMWBKFQHDRW-UHFFFAOYSA-N
SMILES:
Cc1cnc([nH]c1=O)Nc1ccc(cc1)OCCN1CCCC1
Properties
Complexity:
475
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
314.389g/mol
Monoisotopic Mass:
314.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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