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methyl 2-amino-6-chloropyrimidine-4-carboxylate

methyl 2-amino-6-chloropyrimidine-4-carboxylate

CAS: 6299-83-8

Formula: C6H6ClN3O2

SMILES: COC(=O)C1=NC(N)=NC(Cl)=C1

IUPAC: methyl 2-amino-6-chloropyrimidine-4-carboxylate

InChI: InChI=1S/C6H6ClN3O2/c1-12-5(11)3-2-4(7)10-6(8)9-3/h2H,1H3,(H2,8,9,10)

Composition: C (38.42%), H (3.22%), Cl (18.90%), N (22.40%), O (17.06%)

Molar Mass: 187.58

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 187.0148541
Formal Charge 0
FSP3 0.17
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey FLKRTPIQMUGYRO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 44.89
Topological Polar Surface Area 78.1
Polarizability 16.22
Ring Count 1
Rotatable Bond Count 2

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