N-({4-[(pyrimidin-2-ylamino)methyl]phenyl}methyl)pyrimidin-2-amine

N-({4-[(pyrimidin-2-ylamino)methyl]phenyl}methyl)pyrimidin-2-amine

CAS: 897657-95-3

Formula: C16H16N6

SMILES: C(NC1=NC=CC=N1)C1=CC=C(CNC2=NC=CC=N2)C=C1

IUPAC: N-[(4-{[(pyrimidin-2-yl)amino]methyl}phenyl)methyl]pyrimidin-2-amine

InChI: InChI=1S/C16H16N6/c1-7-17-15(18-8-1)21-11-13-3-5-14(6-4-13)12-22-16-19-9-2-10-20-16/h1-10H,11-12H2,(H,17,18,21)(H,19,20,22)

Composition: C (65.74%), H (5.52%), N (28.75%)

Molar Mass: 292.346

Atom Count: 38

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	292.143644539
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	PXZXYRKDDXKDTK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	88.89
Topological Polar Surface Area	75.62
Polarizability	31.89
Ring Count	3
Rotatable Bond Count	6

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