4-({7-hydroxy-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzonitrile

4-({7-hydroxy-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzonitrile

CAS: 105365-76-2

Formula: C14H12N4O

SMILES: OC1CCC2=C1N=CN=C2NC1=CC=C(C=C1)C#N

IUPAC: 4-({7-hydroxy-5H,6H,7H-cyclopenta[d]pyrimidin-4-yl}amino)benzonitrile

InChI: InChI=1/C14H12N4O/c15-7-9-1-3-10(4-2-9)18-14-11-5-6-12(19)13(11)16-8-17-14/h1-4,8,12,19H,5-6H2,(H,16,17,18)

Composition: C (66.65%), H (4.79%), N (22.21%), O (6.34%)

Molar Mass: 252.277

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	252.101111022
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	YKTSVZRWKHWINV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.19
Topological Polar Surface Area	81.83
Polarizability	26.43
Ring Count	3
Rotatable Bond Count	2

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