ethyl pyrimidine-4-carboxylate

ethyl pyrimidine-4-carboxylate

CAS: 62846-82-6

Formula: C7H8N2O2

SMILES: CCOC(=O)C1=CC=NC=N1

IUPAC: ethyl pyrimidine-4-carboxylate

InChI: InChI=1S/C7H8N2O2/c1-2-11-7(10)6-3-4-8-5-9-6/h3-5H,2H2,1H3

Composition: C (55.26%), H (5.30%), N (18.41%), O (21.03%)

Molar Mass: 152.153

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	152.058577506
Formal Charge	0
FSP3	0.29
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	DWRWSNAREGLUHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.12
Topological Polar Surface Area	52.08
Polarizability	14.85
Ring Count	1
Rotatable Bond Count	3

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