Text Search
Structure Search

4-(benzylamino)-2-{[2-(3-chloro-4-hydroxyphenyl)ethyl]amino}pyrimidine-5-carboxamide

4-(benzylamino)-2-{[2-(3-chloro-4-hydroxyphenyl)ethyl]amino}pyrimidine-5-carboxamide

CAS: 919486-40-1

Formula: C20H20ClN5O2

SMILES: NC(=O)C1=C(NCC2=CC=CC=C2)N=C(NCCC2=CC=C(O)C(Cl)=C2)N=C1

IUPAC: 4-(benzylamino)-2-{[2-(3-chloro-4-hydroxyphenyl)ethyl]amino}pyrimidine-5-carboxamide

InChI: InChI=1S/C20H20ClN5O2/c21-16-10-13(6-7-17(16)27)8-9-23-20-25-12-15(18(22)28)19(26-20)24-11-14-4-2-1-3-5-14/h1-7,10,12,27H,8-9,11H2,(H2,22,28)(H2,23,24,25,26)

Composition: C (60.38%), H (5.07%), Cl (8.91%), N (17.60%), O (8.04%)

Molar Mass: 397.86

Atom Count: 48

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 397.1305526
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 4
InChIKey OZRMEKAUZBKTTC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 113.21
Topological Polar Surface Area 113.16
Polarizability 40.8
Ring Count 3
Rotatable Bond Count 8

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molnova Chemicals
Purity LeadTime CAS PacketSize UnitPrice
98% <4 Days 919486-40-1 $45.10-$467.81$45.10$64.97$96.31$188.81$306.52$467.81
Request Quote