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8-(5-acetyl-4-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

ChemBase ID: 450035
Molecular Formular: C15H20N4O3
Molecular Mass: 304.3443
Monoisotopic Mass: 304.15354052
SMILES and InChIs

SMILES:
C1(=O)N(CC2(O1)CCN(c1nc(c(cn1)C(=O)C)C)CC2)C
Canonical SMILES:
O=C1OC2(CN1C)CCN(CC2)c1ncc(c(n1)C)C(=O)C
InChI:
InChI=1S/C15H20N4O3/c1-10-12(11(2)20)8-16-13(17-10)19-6-4-15(5-7-19)9-18(3)14(21)22-15/h8H,4-7,9H2,1-3H3
InChIKey:
WFHXILPEIWXDLA-UHFFFAOYSA-N

Cite this record

CBID:450035 http://www.chembase.cn/molecule-450035.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(5-acetyl-4-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
IUPAC Traditional name
8-(5-acetyl-4-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Synonyms
8-(5-acetyl-4-methylpyrimidin-2-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.755671  H Acceptors
H Donor LogD (pH = 5.5) 0.14948109 
LogD (pH = 7.4) 0.15080152  Log P 0.1508184 
Molar Refractivity 81.3577 cm3 Polarizability 30.427917 Å3
Polar Surface Area 75.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.76  LOG S -3.02 
Polar Surface Area 75.63 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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