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1H,2H,3H,4H,5H,6H,7H-cyclopenta[d]pyrimidine-2,4-dione
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ChemBase ID:
51175
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Molecular Formular:
C7H8N2O2
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Molecular Mass:
152.15062
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Monoisotopic Mass:
152.05857751
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SMILES and InChIs
SMILES:
[nH]1c(=O)c2c([nH]c1=O)CCC2
Canonical SMILES:
O=c1[nH]c(=O)[nH]c2c1CCC2
InChI:
InChI=1S/C7H8N2O2/c10-6-4-2-1-3-5(4)8-7(11)9-6/h1-3H2,(H2,8,9,10,11)
InChIKey:
UPLURGSDLNKCSU-UHFFFAOYSA-N
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Cite this record
CBID:51175 http://www.chembase.cn/molecule-51175.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1H,2H,3H,4H,5H,6H,7H-cyclopenta[d]pyrimidine-2,4-dione
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IUPAC Traditional name
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1H,3H,5H,6H,7H-cyclopenta[d]pyrimidine-2,4-dione
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Synonyms
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6,7-Dihydro-1H-cyclopenta[d]pyrimidine-2,4(3H,5H)-dione
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CAS Number
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MDL Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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10.281493
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H Acceptors
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2
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H Donor
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2
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LogD (pH = 5.5)
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-0.19887841
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LogD (pH = 7.4)
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-0.19943498
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Log P
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-0.19887131
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Molar Refractivity
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38.8673 cm3
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Polarizability
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14.412624 Å3
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Polar Surface Area
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58.2 Å2
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Rotatable Bonds
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0
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent