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5-{7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl}-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

ChemBase ID: 460137
Molecular Formular: C19H26N4O4
Molecular Mass: 374.43414
Monoisotopic Mass: 374.19540533
SMILES and InChIs

SMILES:
c1(c(=O)[nH]c(=O)n(c1)C)C(=O)N1CC2(C(=O)N(C3CCCC3)CCC2)CC1
Canonical SMILES:
O=C1N(CCCC21CCN(C2)C(=O)c1cn(C)c(=O)[nH]c1=O)C1CCCC1
InChI:
InChI=1S/C19H26N4O4/c1-21-11-14(15(24)20-18(21)27)16(25)22-10-8-19(12-22)7-4-9-23(17(19)26)13-5-2-3-6-13/h11,13H,2-10,12H2,1H3,(H,20,24,27)
InChIKey:
PMMOJKZPSWRGGE-UHFFFAOYSA-N

Cite this record

CBID:460137 http://www.chembase.cn/molecule-460137.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-{7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl}-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Traditional name
5-{7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]decane-2-carbonyl}-1-methyl-3H-pyrimidine-2,4-dione
Synonyms
5-[(7-cyclopentyl-6-oxo-2,7-diazaspiro[4.5]dec-2-yl)carbonyl]-1-methylpyrimidine-2,4(1H,3H)-dione

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 8.976127  H Acceptors
H Donor LogD (pH = 5.5) -0.097496994 
LogD (pH = 7.4) -0.10859519  Log P -0.09735142 
Molar Refractivity 97.582 cm3 Polarizability 37.494335 Å3
Polar Surface Area 90.03 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.53  LOG S -2.79 
Polar Surface Area 95.48 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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