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

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

CAS: 944129-00-4

Formula: C6H6ClN3O2

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

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

InChI: InChI=1S/C6H6ClN3O2/c1-12-5(11)3-2-4(8)10-6(7)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	DZPNGOOGJKXYRF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.89
Topological Polar Surface Area	78.1
Polarizability	16.28
Ring Count	1
Rotatable Bond Count	2

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