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1142945-82-1 | 4H-Pyrrolo[2,3-d]pyriMidin-4-one, 3,7-dihydro-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-
CAS No: 1142945-82-1 Catalog No: AG000B01 MDL No:
Product Description
Catalog Number:
AG000B01
Chemical Name:
4H-Pyrrolo[2,3-d]pyriMidin-4-one, 3,7-dihydro-2-[[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]aMino]-
CAS Number:
1142945-82-1
Molecular Formula:
C18H21N5O2
Molecular Weight:
339.3916
IUPAC Name:
2-[4-(2-pyrrolidin-1-ylethoxy)anilino]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C18H21N5O2/c24-17-15-7-8-19-16(15)21-18(22-17)20-13-3-5-14(6-4-13)25-12-11-23-9-1-2-10-23/h3-8H,1-2,9-12H2,(H3,19,20,21,22,24)
InChI Key:
PXEKHWMLUBGCJX-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(Nc2ccc(cc2)OCCN2CCCC2)nc2c1cc[nH]2
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
339.17g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
339.399g/mol
Monoisotopic Mass:
339.17g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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