ethyl 4-aminopyrimidine-5-carboxylate

ethyl 4-aminopyrimidine-5-carboxylate

CAS: 65195-35-9

Formula: C7H9N3O2

SMILES: CCOC(=O)C1=CN=CN=C1N

IUPAC: ethyl 4-aminopyrimidine-5-carboxylate

InChI: InChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-9-4-10-6(5)8/h3-4H,2H2,1H3,(H2,8,9,10)

Composition: C (50.29%), H (5.43%), N (25.14%), O (19.14%)

Molar Mass: 167.168

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	167.069476542
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OBBDJDIJXFWRJK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.51
Topological Polar Surface Area	78.1
Polarizability	16.01
Ring Count	1
Rotatable Bond Count	3

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