4-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-[(4-methylphenyl)sulfanyl]pyrimidin-2-amine

4-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-[(4-methylphenyl)sulfanyl]pyrimidin-2-amine

CAS: 1272756-47-4

Formula: C23H27N5OS

SMILES: CCOC1=C(C=CC=C1)N1CCN(CC1)C1=CC(SC2=CC=C(C)C=C2)=NC(N)=N1

IUPAC: 4-[4-(2-ethoxyphenyl)piperazin-1-yl]-6-[(4-methylphenyl)sulfanyl]pyrimidin-2-amine

InChI: InChI=1S/C23H27N5OS/c1-3-29-20-7-5-4-6-19(20)27-12-14-28(15-13-27)21-16-22(26-23(24)25-21)30-18-10-8-17(2)9-11-18/h4-11,16H,3,12-15H2,1-2H3,(H2,24,25,26)

Composition: C (65.53%), H (6.46%), N (16.61%), O (3.80%), S (7.61%)

Molar Mass: 421.56

Atom Count: 57

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	421.193631683
Formal Charge	0
FSP3	0.3
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	VUFLOVAXYUDKOF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	127.91
Topological Polar Surface Area	67.51
Polarizability	46.95
Ring Count	4
Rotatable Bond Count	6

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90%	<2 Days	1272756-47-4		$51.35-$86.31$51.35$63.37$86.31