1,3-dimethyl-7-(morpholin-4-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

• ChemBase ID: 185845
• Molecular Formular: C12H15N5O3
• Molecular Mass: 277.2792
• Monoisotopic Mass: 277.11748937
• SMILES: n1(c2nc(ncc2c(=O)n(c1=O)C)N1CCOCC1)C
• Canonical SMILES: O=c1n(C)c2nc(ncc2c(=O)n1C)N1CCOCC1
• InChI: InChI=1S/C12H15N5O3/c1-15-9-8(10(18)16(2)12(15)19)7-13-11(14-9)17-3-5-20-6-4-17/h7H,3-6H2,1-2H3
• InChIKey: BBISNMXAZAFIJV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3-dimethyl-7-(morpholin-4-yl)-1H,2H,3H,4H-[1,3]diazino[4,5-d]pyrimidine-2,4-dione
• IUPAC Traditional name: 1,3-dimethyl-7-(morpholin-4-yl)-[1,3]diazino[4,5-d]pyrimidine-2,4-dione

Database IDs

• PubChem SID: 164241755
• PubChem CID: 929164

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.07394268
• LogD (pH = 7.4): 0.07396601
• Log P: 0.07396631
• Molar Refractivity: 72.2156 cm^3
• Polarizability: 25.992105 Å^3
• Polar Surface Area: 78.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds