4-(benzylamino)-6-(4-chlorophenyl)-2-phenylpyrimidine-5-carbonitrile

4-(benzylamino)-6-(4-chlorophenyl)-2-phenylpyrimidine-5-carbonitrile

CAS: 320418-67-5

Formula: C24H17ClN4

SMILES: ClC1=CC=C(C=C1)C1=NC(=NC(NCC2=CC=CC=C2)=C1C#N)C1=CC=CC=C1

IUPAC: 4-(benzylamino)-6-(4-chlorophenyl)-2-phenylpyrimidine-5-carbonitrile

InChI: InChI=1S/C24H17ClN4/c25-20-13-11-18(12-14-20)22-21(15-26)24(27-16-17-7-3-1-4-8-17)29-23(28-22)19-9-5-2-6-10-19/h1-14H,16H2,(H,27,28,29)

Composition: C (72.63%), H (4.32%), Cl (8.93%), N (14.12%)

Molar Mass: 396.88

Atom Count: 46

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	396.1141743
Formal Charge	0
FSP3	0.04
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	VWELMUFLBRCOND-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	128.54
Topological Polar Surface Area	61.6
Polarizability	46.1
Ring Count	4
Rotatable Bond Count	5

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