ethyl 2-[(4-cyanophenyl)amino]pyrimidine-4-carboxylate

ethyl 2-[(4-cyanophenyl)amino]pyrimidine-4-carboxylate

CAS: 1393845-81-2

Formula: C14H12N4O2

SMILES: CCOC(=O)C1=NC(NC2=CC=C(C=C2)C#N)=NC=C1

IUPAC: ethyl 2-[(4-cyanophenyl)amino]pyrimidine-4-carboxylate

InChI: InChI=1S/C14H12N4O2/c1-2-20-13(19)12-7-8-16-14(18-12)17-11-5-3-10(9-15)4-6-11/h3-8H,2H2,1H3,(H,16,17,18)

Composition: C (62.68%), H (4.51%), N (20.88%), O (11.93%)

Molar Mass: 268.276

Atom Count: 32

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	268.096025642
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DVBYTYGANLEDTE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.28
Topological Polar Surface Area	87.9
Polarizability	27.39
Ring Count	2
Rotatable Bond Count	5

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