2-[(3-{[2-(dimethylamino)phenyl]methyl}-2-(pyridin-4-yl)-1,3-diazinan-1-yl)methyl]-N,N-dimethylaniline

2-[(3-{[2-(dimethylamino)phenyl]methyl}-2-(pyridin-4-yl)-1,3-diazinan-1-yl)methyl]-N,N-dimethylaniline

CAS: 500579-04-4

Formula: C27H35N5

SMILES: CN(C)C1=CC=CC=C1CN1CCCN(CC2=CC=CC=C2N(C)C)C1C1=CC=NC=C1

IUPAC: 2-[(3-{[2-(dimethylamino)phenyl]methyl}-2-(pyridin-4-yl)-1,3-diazinan-1-yl)methyl]-N,N-dimethylaniline

InChI: InChI=1S/C27H35N5/c1-29(2)25-12-7-5-10-23(25)20-31-18-9-19-32(27(31)22-14-16-28-17-15-22)21-24-11-6-8-13-26(24)30(3)4/h5-8,10-17,27H,9,18-21H2,1-4H3

Composition: C (75.49%), H (8.21%), N (16.30%)

Molar Mass: 429.612

Atom Count: 67

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	429.289246147
Formal Charge	0
FSP3	0.37
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	KVQOGDQTWWCZFX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	136.18
Topological Polar Surface Area	25.85
Polarizability	51.7
Ring Count	4
Rotatable Bond Count	7

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