6-(Aminomethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one - CAS 882252-36-0

Name: 6-(Aminomethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB074536
Product Name:	6-(Aminomethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4(5H)-one
CAS:	882252-36-0
Synonyms:	6-(aminomethyl)-1-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one; 6-(AMINOMETHYL)-1-PHENYL-5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE; 6-(aminomethyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ol; 6-(aminomethyl)-1-phenyl-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one

Technical Data

IUPAC Name:	6-(aminomethyl)-1-phenyl-5H-pyrazolo[3,4-d]pyrimidin-4-one
Molecular Weight:	241.25
Molecular Formula:	C12H11N5O
Canonical SMILES:	C1=CC=C(C=C1)N2C3=C(C=N2)C(=O)NC(=N3)CN
InChI:	InChI=1S/C12H11N5O/c13-6-10-15-11-9(12(18)16-10)7-14-17(11)8-4-2-1-3-5-8/h1-5,7H,6,13H2,(H,15,16,18)
InChI Key:	ZDDAXFBAQWOPCZ-UHFFFAOYSA-N
References:	Bol'but, A. V., et al. Zhurnal Organichnoi ta Farmatsevtichnoi Khimii, 4, 57 (2006).

Complexity:	364
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.09635999
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	241.09635999
Rotatable Bond Count:	2
Topological Polar Surface Area:	85.3Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.1