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5-{[4-(benzyloxy)phenyl]methyl}pyrimidine-2,4-diamine

5-{[4-(benzyloxy)phenyl]methyl}pyrimidine-2,4-diamine

CAS: 49873-11-2

Formula: C18H18N4O

SMILES: NC1=NC=C(CC2=CC=C(OCC3=CC=CC=C3)C=C2)C(N)=N1

IUPAC: 5-{[4-(benzyloxy)phenyl]methyl}pyrimidine-2,4-diamine

InChI: InChI=1S/C18H18N4O/c19-17-15(11-21-18(20)22-17)10-13-6-8-16(9-7-13)23-12-14-4-2-1-3-5-14/h1-9,11H,10,12H2,(H4,19,20,21,22)

Composition: C (70.57%), H (5.92%), N (18.29%), O (5.22%)

Molar Mass: 306.369

Atom Count: 41

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 306.148061216
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey NTVMHTFWSNGDLC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.2
Topological Polar Surface Area 87.05
Polarizability 34.28
Ring Count 3
Rotatable Bond Count 5

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