2-chloro-5-fluoro-N-methylpyrimidin-4-amine

2-chloro-5-fluoro-N-methylpyrimidin-4-amine

CAS: 67316-43-2

Formula: C5H5ClFN3

SMILES: CNC1=NC(Cl)=NC=C1F

IUPAC: 2-chloro-5-fluoro-N-methylpyrimidin-4-amine

InChI: InChI=1S/C5H5ClFN3/c1-8-4-3(7)2-9-5(6)10-4/h2H,1H3,(H,8,9,10)

Composition: C (37.17%), H (3.12%), Cl (21.94%), F (11.76%), N (26.01%)

Molar Mass: 161.56

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	161.015603
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VYADLELCFPIRRE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.94
Topological Polar Surface Area	37.81
Polarizability	13.37
Ring Count	1
Rotatable Bond Count	1

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