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88291-04-7 | Ethanol, 2-[[2-(diethylamino)-6-(phenylamino)-4-pyrimidinyl]amino]-
CAS No: 88291-04-7 Catalog No: AG0049FA MDL No:
Product Description
Catalog Number:
AG0049FA
Chemical Name:
Ethanol, 2-[[2-(diethylamino)-6-(phenylamino)-4-pyrimidinyl]amino]-
CAS Number:
88291-04-7
Molecular Formula:
C16H23N5O
Molecular Weight:
301.3867
IUPAC Name:
2-[[6-anilino-2-(diethylamino)pyrimidin-4-yl]amino]ethanol
InChI:
InChI=1S/C16H23N5O/c1-3-21(4-2)16-19-14(17-10-11-22)12-15(20-16)18-13-8-6-5-7-9-13/h5-9,12,22H,3-4,10-11H2,1-2H3,(H2,17,18,19,20)
InChI Key:
NLYQMNBQMNUQNT-UHFFFAOYSA-N
SMILES:
OCCNc1cc(Nc2ccccc2)nc(n1)N(CC)CC
Properties
Complexity:
294
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.19g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.394g/mol
Monoisotopic Mass:
301.19g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
73.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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