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5-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione

ChemBase ID: 341518
Molecular Formular: C15H18N6O4
Molecular Mass: 346.34122
Monoisotopic Mass: 346.13895309
SMILES and InChIs

SMILES:
c1(c(=O)[nH]c(=O)n(c1)C)C(=O)N1CCN(c2nc(ccn2)OC)CC1
Canonical SMILES:
COc1ccnc(n1)N1CCN(CC1)C(=O)c1cn(C)c(=O)[nH]c1=O
InChI:
InChI=1S/C15H18N6O4/c1-19-9-10(12(22)18-15(19)24)13(23)20-5-7-21(8-6-20)14-16-4-3-11(17-14)25-2/h3-4,9H,5-8H2,1-2H3,(H,18,22,24)
InChIKey:
PCYLLRRBWXUSTI-UHFFFAOYSA-N

Cite this record

CBID:341518 http://www.chembase.cn/molecule-341518.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-1-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
IUPAC Traditional name
5-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]-1-methyl-3H-pyrimidine-2,4-dione
Synonyms
5-{[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]carbonyl}-1-methylpyrimidine-2,4(1H,3H)-dione

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14030398 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 8.976126  H Acceptors
H Donor LogD (pH = 5.5) -0.52118003 
LogD (pH = 7.4) -0.48553705  Log P -0.47366062 
Molar Refractivity 88.4915 cm3 Polarizability 32.711273 Å3
Polar Surface Area 107.97 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.63  LOG S -2.5 
Polar Surface Area 113.42 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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