2,4-dimethoxypyrimidin-5-ylboronic acid

2,4-dimethoxypyrimidin-5-ylboronic acid

CAS: 89641-18-9

Formula: C6H9BN2O4

SMILES: COC1=NC=C(B(O)O)C(OC)=N1

IUPAC: (2,4-dimethoxypyrimidin-5-yl)boronic acid

InChI: InChI=1S/C6H9BN2O4/c1-12-5-4(7(10)11)3-8-6(9-5)13-2/h3,10-11H,1-2H3

Composition: C (39.18%), H (4.93%), B (5.88%), N (15.23%), O (34.79%)

Molar Mass: 183.96

Atom Count: 22

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	184.065537
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	LKGKUACPLXCVOF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.45
Topological Polar Surface Area	84.7
Polarizability	16.91
Ring Count	1
Rotatable Bond Count	3

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