4-(tert-butylamino)-6-(morpholin-4-yl)-1,3,5-triazine-2-carboxylic acid

4-(tert-butylamino)-6-(morpholin-4-yl)-1,3,5-triazine-2-carboxylic acid

CAS: 626223-45-8

Formula: C12H19N5O3

SMILES: CC(C)(C)NC1=NC(=NC(=N1)N1CCOCC1)C(O)=O

IUPAC: 4-(tert-butylamino)-6-(morpholin-4-yl)-1,3,5-triazine-2-carboxylic acid

InChI: InChI=1S/C12H19N5O3/c1-12(2,3)16-10-13-8(9(18)19)14-11(15-10)17-4-6-20-7-5-17/h4-7H2,1-3H3,(H,18,19)(H,13,14,15,16)

Composition: C (51.23%), H (6.81%), N (24.90%), O (17.06%)

Molar Mass: 281.316

Atom Count: 39

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	281.148789492
Formal Charge	0
FSP3	0.67
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	2
InChIKey	JYHIPRJWQJAKKM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.83
Topological Polar Surface Area	100.47
Polarizability	27.09
Ring Count	2
Rotatable Bond Count	4

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