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5-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine

5-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine

CAS: 163590-00-9

Formula: C18H18N4O

SMILES: COC1=CC=C(CC2=C(N)N=C(N=C2N)C2=CC=CC=C2)C=C1

IUPAC: 5-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine

InChI: InChI=1S/C18H18N4O/c1-23-14-9-7-12(8-10-14)11-15-16(19)21-18(22-17(15)20)13-5-3-2-4-6-13/h2-10H,11H2,1H3,(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 ZVZZSDWLUKTJPQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 104.36
Topological Polar Surface Area 87.05
Polarizability 34.97
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 163590-00-9 $51.35-$1,347.05$51.35$63.37$86.31$292.79$449.02$1,347.05
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