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2-(benzylamino)pyrimidine-5-carbaldehyde

2-(benzylamino)pyrimidine-5-carbaldehyde

CAS: 946778-44-5

Formula: C12H11N3O

SMILES: O=CC1=CN=C(NCC2=CC=CC=C2)N=C1

IUPAC: 2-(benzylamino)pyrimidine-5-carbaldehyde

InChI: InChI=1S/C12H11N3O/c16-9-11-7-14-12(15-8-11)13-6-10-4-2-1-3-5-10/h1-5,7-9H,6H2,(H,13,14,15)

Composition: C (67.59%), H (5.20%), N (19.71%), O (7.50%)

Molar Mass: 213.24

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 213.090211986
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey LYCVAJMGIHAWPH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.06
Topological Polar Surface Area 54.88
Polarizability 23.01
Ring Count 2
Rotatable Bond Count 4

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