2,4,6-tri-tert-butylpyrimidine

2,4,6-tri-tert-butylpyrimidine

CAS: 67490-21-5

Formula: C16H28N2

SMILES: CC(C)(C)C1=CC(=NC(=N1)C(C)(C)C)C(C)(C)C

IUPAC: 2,4,6-tri-tert-butylpyrimidine

InChI: InChI=1S/C16H28N2/c1-14(2,3)11-10-12(15(4,5)6)18-13(17-11)16(7,8)9/h10H,1-9H3

Composition: C (77.36%), H (11.36%), N (11.28%)

Molar Mass: 248.414

Atom Count: 46

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	248.22524891
Formal Charge	0
FSP3	0.75
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VYWSYEDVFVGRGG-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	77.64
Topological Polar Surface Area	25.78
Polarizability	30.43
Ring Count	1
Rotatable Bond Count	3

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