ethyl 4-amino-2-chloropyrimidine-5-carboxylate

ethyl 4-amino-2-chloropyrimidine-5-carboxylate

CAS: 71406-78-5

Formula: C7H8ClN3O2

SMILES: CCOC(=O)C1=CN=C(Cl)N=C1N

IUPAC: ethyl 4-amino-2-chloropyrimidine-5-carboxylate

InChI: InChI=1S/C7H8ClN3O2/c1-2-13-6(12)4-3-10-7(8)11-5(4)9/h3H,2H2,1H3,(H2,9,10,11)

Composition: C (41.70%), H (4.00%), Cl (17.58%), N (20.84%), O (15.87%)

Molar Mass: 201.61

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	201.0305042
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	FZRLBTIPZJXREW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.01
Topological Polar Surface Area	78.1
Polarizability	18.09
Ring Count	1
Rotatable Bond Count	3

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