2,4-dimethyl-7-(naphthalen-2-yl)pyrrolo[1,2-a]pyrimidine-8-carbonitrile

2,4-dimethyl-7-(naphthalen-2-yl)pyrrolo[1,2-a]pyrimidine-8-carbonitrile

CAS: 338400-99-0

Formula: C20H15N3

SMILES: CC1=NC2=C(C#N)C(=CN2C(C)=C1)C1=CC2=CC=CC=C2C=C1

IUPAC: 2,4-dimethyl-7-(naphthalen-2-yl)pyrrolo[1,2-a]pyrimidine-8-carbonitrile

InChI: InChI=1S/C20H15N3/c1-13-9-14(2)23-12-19(18(11-21)20(23)22-13)17-8-7-15-5-3-4-6-16(15)10-17/h3-10,12H,1-2H3

Composition: C (80.78%), H (5.08%), N (14.13%)

Molar Mass: 297.361

Atom Count: 38

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	297.126597495
Formal Charge	0
FSP3	0.1
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	LWVJWBZAOLFKJW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	92.99
Topological Polar Surface Area	41.09
Polarizability	37.28
Ring Count	4
Rotatable Bond Count	1

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