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1023888-29-0 | 2-Pyrimidinamine, 4-(3-azetidinyl)-N-ethyl-
CAS No: 1023888-29-0 Catalog No: AG0007BI MDL No:MFCD18073440
Product Description
Catalog Number:
AG0007BI
Chemical Name:
2-Pyrimidinamine, 4-(3-azetidinyl)-N-ethyl-
CAS Number:
1023888-29-0
Molecular Formula:
C9H14N4
Molecular Weight:
178.2343
MDL Number:
MFCD18073440
IUPAC Name:
4-(azetidin-3-yl)-N-ethylpyrimidin-2-amine
InChI:
InChI=1S/C9H14N4/c1-2-11-9-12-4-3-8(13-9)7-5-10-6-7/h3-4,7,10H,2,5-6H2,1H3,(H,11,12,13)
InChI Key:
RGIUWNLUKVEEDV-UHFFFAOYSA-N
SMILES:
CCNc1nccc(n1)C1CNC1
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.239g/mol
Monoisotopic Mass:
178.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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