2-amino-5-{[4-(4-fluorophenyl)pyrimidin-2-yl]amino}pentanoic acid

2-amino-5-{[4-(4-fluorophenyl)pyrimidin-2-yl]amino}pentanoic acid

CAS: 1396967-30-8

Formula: C15H17FN4O2

SMILES: NC(CCCNC1=NC=CC(=N1)C1=CC=C(F)C=C1)C(O)=O

IUPAC: 2-amino-5-{[4-(4-fluorophenyl)pyrimidin-2-yl]amino}pentanoic acid

InChI: InChI=1/C15H17FN4O2/c16-11-5-3-10(4-6-11)13-7-9-19-15(20-13)18-8-1-2-12(17)14(21)22/h3-7,9,12H,1-2,8,17H2,(H,21,22)(H,18,19,20)

Composition: C (59.20%), H (5.63%), F (6.24%), N (18.41%), O (10.51%)

Molar Mass: 304.325

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	304.133553966
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	XAXCNUYUNPPUOF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	81.13
Topological Polar Surface Area	101.13
Polarizability	31.54
Ring Count	2
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	1396967-30-8		$51.35-$524.40$51.35$63.37$86.31$524.40