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ethyl 4-[(pyrimidin-5-ylmethyl)amino]benzoate

ethyl 4-[(pyrimidin-5-ylmethyl)amino]benzoate

CAS: 1255716-72-3

Formula: C14H15N3O2

SMILES: CCOC(=O)C1=CC=C(NCC2=CN=CN=C2)C=C1

IUPAC: ethyl 4-{[(pyrimidin-5-yl)methyl]amino}benzoate

InChI: InChI=1S/C14H15N3O2/c1-2-19-14(18)12-3-5-13(6-4-12)17-9-11-7-15-10-16-8-11/h3-8,10,17H,2,9H2,1H3

Composition: C (65.36%), H (5.88%), N (16.33%), O (12.44%)

Molar Mass: 257.293

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 257.116426735
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey XGEZVHGNVYQIAL-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.3
Topological Polar Surface Area 64.11
Polarizability 27.37
Ring Count 2
Rotatable Bond Count 6

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