tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate

tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate

CAS: 1235451-38-3

Formula: C10H14BrN3O2

SMILES: CC(C)(C)OC(=O)NCC1=NC=C(Br)C=N1

IUPAC: tert-butyl N-[(5-bromopyrimidin-2-yl)methyl]carbamate

InChI: InChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-6-8-12-4-7(11)5-13-8/h4-5H,6H2,1-3H3,(H,14,15)

Composition: C (41.68%), H (4.90%), Br (27.73%), N (14.58%), O (11.10%)

Molar Mass: 288.145

Atom Count: 30

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	287.02694
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PJYCNAIIDIMDQQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.2
Topological Polar Surface Area	64.11
Polarizability	24.44
Ring Count	1
Rotatable Bond Count	4

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