Product Name

6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione Specification

The 6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione with cas registry number of 635698-34-9, is also called 1H-Pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione, 6,7-dihydro-6-(phenylmethyl)- .The 6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione belongs to the following product categorie: chiral chemicals.

Physical properties of 6-Benzyl-6,7-dihydro-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,5H)-dione :(1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.71; (5)#H bond acceptors: 5; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 61.44 Å2; (9)Index of Refraction: 1.669; (10)Molar Refractivity: 65.95 cm3; (11)Molar Volume: 176.5 cm3; (12)Polarizability: 26.14×10-24cm3; (13)Surface Tension: 63.5 dyne/cm.

You can still convert the following datas into molecular structure:(1)SMILES:O=C1NC(=O)NC=2CN(CC1=2)Cc3ccccc3; (2)InChI:InChI=1/C13H13N3O2/c17-12-10-7-16(6-9-4-2-1-3-5-9)8-11(10)14-13(18)15-12/h1-5H,6-8H2,(H2,14,15,17,18); (3)InChIKey:HHPFBTNJYIYLKC-UHFFFAOYAC; (4)Std. InChI:InChI=1S/C13H13N3O2/c17-12-10-7-16(6-9-4-2-1-3-5-9)8-11(10)14-13(18)15-12/h1-5H,6-8H2,(H2,14,15,17,18); (5)Std. InChIKey:HHPFBTNJYIYLKC-UHFFFAOYSA-N.

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