1-({2-[(2-chloropyridin-4-yl)amino]-4'-(cyclopropylmethyl)-[4,5'-bipyrimidin]-2'-yl}amino)-2-methylpropan-2-ol

1-({2-[(2-chloropyridin-4-yl)amino]-4'-(cyclopropylmethyl)-[4,5'-bipyrimidin]-2'-yl}amino)-2-methylpropan-2-ol

CAS: 1383716-33-3

Formula: C21H24ClN7O

SMILES: CC(C)(O)CNC1=NC=C(C(CC2CC2)=N1)C1=NC(NC2=CC(Cl)=NC=C2)=NC=C1

IUPAC: 1-({2-[(2-chloropyridin-4-yl)amino]-4'-(cyclopropylmethyl)-[4,5'-bipyrimidin]-2'-yl}amino)-2-methylpropan-2-ol

InChI: InChI=1S/C21H24ClN7O/c1-21(2,30)12-26-19-25-11-15(17(29-19)9-13-3-4-13)16-6-8-24-20(28-16)27-14-5-7-23-18(22)10-14/h5-8,10-11,13,30H,3-4,9,12H2,1-2H3,(H,25,26,29)(H,23,24,27,28)

Composition: C (59.22%), H (5.68%), Cl (8.32%), N (23.02%), O (3.76%)

Molar Mass: 425.92

Atom Count: 54

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	425.1730861
Formal Charge	0
FSP3	0.38
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	3
InChIKey	AWNXKZVIZARMME-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.35
Topological Polar Surface Area	108.74
Polarizability	45.15
Ring Count	4
Rotatable Bond Count	8

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	1383716-33-3		$12.61-$128.62$12.61$32.79$46.66$128.62