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4-[(2-amino-6-methylpyrimidin-4-yl)amino]benzoic acid

4-[(2-amino-6-methylpyrimidin-4-yl)amino]benzoic acid

CAS: 91560-28-0

Formula: C12H12N4O2

SMILES: CC1=NC(N)=NC(NC2=CC=C(C=C2)C(O)=O)=C1

IUPAC: 4-[(2-amino-6-methylpyrimidin-4-yl)amino]benzoic acid

InChI: InChI=1S/C12H12N4O2/c1-7-6-10(16-12(13)14-7)15-9-4-2-8(3-5-9)11(17)18/h2-6H,1H3,(H,17,18)(H3,13,14,15,16)

Composition: C (59.01%), H (4.95%), N (22.94%), O (13.10%)

Molar Mass: 244.254

Atom Count: 30

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 244.096025642
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey ACABARVIRZLTTK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.02
Topological Polar Surface Area 101.13
Polarizability 24.53
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 91560-28-0 $404.27$404.27
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