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897362-31-1 | Pyrido[3,2-d]pyrimidin-2-amine, 4-butoxy-6-(2-fluorophenyl)-
CAS No: 897362-31-1 Catalog No: AG00417Y MDL No:
Product Description
Catalog Number:
AG00417Y
Chemical Name:
Pyrido[3,2-d]pyrimidin-2-amine, 4-butoxy-6-(2-fluorophenyl)-
CAS Number:
897362-31-1
Molecular Formula:
C17H17FN4O
Molecular Weight:
312.3415
IUPAC Name:
4-butoxy-6-(2-fluorophenyl)pyrido[3,2-d]pyrimidin-2-amine
InChI:
InChI=1S/C17H17FN4O/c1-2-3-10-23-16-15-14(21-17(19)22-16)9-8-13(20-15)11-6-4-5-7-12(11)18/h4-9H,2-3,10H2,1H3,(H2,19,21,22)
InChI Key:
XCQARTOMEKDAKL-UHFFFAOYSA-N
SMILES:
CCCCOc1nc(N)nc2c1nc(cc2)c1ccccc1F
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.139g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
312.348g/mol
Monoisotopic Mass:
312.139g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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