2-(2H-1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidine-3-carbaldehyde

2-(2H-1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidine-3-carbaldehyde

CAS: 893612-32-3

Formula: C14H9N3O3

SMILES: O=CC1=C(N=C2N=CC=CN12)C1=CC2=C(OCO2)C=C1

IUPAC: 2-(2H-1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrimidine-3-carbaldehyde

InChI: InChI=1S/C14H9N3O3/c18-7-10-13(16-14-15-4-1-5-17(10)14)9-2-3-11-12(6-9)20-8-19-11/h1-7H,8H2

Composition: C (62.92%), H (3.39%), N (15.72%), O (17.96%)

Molar Mass: 267.244

Atom Count: 29

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	267.064391162
Formal Charge	0
FSP3	0.07
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	UNUOLMGKUCREMH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.78
Topological Polar Surface Area	65.72
Polarizability	27.73
Ring Count	4
Rotatable Bond Count	2

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