ethyl 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoate

ethyl 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoate

CAS: 641569-97-3

Formula: C19H18N4O2

SMILES: CCOC(=O)C1=CC(NC2=NC(=CC=N2)C2=CC=CN=C2)=C(C)C=C1

IUPAC: ethyl 4-methyl-3-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzoate

InChI: InChI=1S/C19H18N4O2/c1-3-25-18(24)14-7-6-13(2)17(11-14)23-19-21-10-8-16(22-19)15-5-4-9-20-12-15/h4-12H,3H2,1-2H3,(H,21,22,23)

Composition: C (68.25%), H (5.43%), N (16.76%), O (9.57%)

Molar Mass: 334.379

Atom Count: 43

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 334.142975836
Formal Charge 0
FSP3 0.16
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey SYTLMFJJRMLMIO-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 95.58
Topological Polar Surface Area 77
Polarizability 37.35
Ring Count 3
Rotatable Bond Count 6

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