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1389310-32-0 | N-[(3S)-Pyrrolidin-3-yl]quinazolin-4-amine
CAS No: 1389310-32-0 Catalog No: AG01FBAC MDL No:
Product Description
Catalog Number:
AG01FBAC
Chemical Name:
N-[(3S)-Pyrrolidin-3-yl]quinazolin-4-amine
CAS Number:
1389310-32-0
Molecular Formula:
C12H14N4
Molecular Weight:
214.2664
IUPAC Name:
N-[(3S)-pyrrolidin-3-yl]quinazolin-4-amine
InChI:
InChI=1S/C12H14N4/c1-2-4-11-10(3-1)12(15-8-14-11)16-9-5-6-13-7-9/h1-4,8-9,13H,5-7H2,(H,14,15,16)/t9-/m0/s1
InChI Key:
XVTBSEBCNFXKGC-VIFPVBQESA-N
SMILES:
C1NC[C@H](C1)Nc1ncnc2c1cccc2
Properties
Complexity:
233
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
214.122g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
214.272g/mol
Monoisotopic Mass:
214.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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