phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate

phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate

CAS: 89392-03-0

Formula: C13H13N3O4

SMILES: COC1=CC(OC)=NC(NC(=O)OC2=CC=CC=C2)=N1

IUPAC: phenyl N-(4,6-dimethoxypyrimidin-2-yl)carbamate

InChI: InChI=1S/C13H13N3O4/c1-18-10-8-11(19-2)15-12(14-10)16-13(17)20-9-6-4-3-5-7-9/h3-8H,1-2H3,(H,14,15,16,17)

Composition: C (56.72%), H (4.76%), N (15.27%), O (23.25%)

Molar Mass: 275.264

Atom Count: 33

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	275.090605911
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	MESPVSMSORHLAX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.49
Topological Polar Surface Area	82.57
Polarizability	26.96
Ring Count	2
Rotatable Bond Count	5

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