3-(pyrimidin-2-yl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene

3-(pyrimidin-2-yl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene

CAS: 339099-33-1

Formula: C13H17N3O2

SMILES: C1CC2(CCN1C1=NC=CC=N1)OCC=CCO2

IUPAC: 3-(pyrimidin-2-yl)-7,12-dioxa-3-azaspiro[5.6]dodec-9-ene

InChI: InChI=1S/C13H17N3O2/c1-2-11-18-13(17-10-1)4-8-16(9-5-13)12-14-6-3-7-15-12/h1-3,6-7H,4-5,8-11H2

Composition: C (63.14%), H (6.93%), N (16.99%), O (12.94%)

Molar Mass: 247.298

Atom Count: 35

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	247.132076799
Formal Charge	0
FSP3	0.54
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	LTTFZFDLYXGFBT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.31
Topological Polar Surface Area	47.48
Polarizability	25.95
Ring Count	3
Rotatable Bond Count	1

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90%	<2 Days	339099-33-1		$51.35-$86.31$51.35$63.37$86.31