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162103798 molecular structure
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1,3-dicyclohexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboximidamide

ChemBase ID: 71934
Molecular Formular: C17H26N4O3
Molecular Mass: 334.41334
Monoisotopic Mass: 334.20049071
SMILES and InChIs

SMILES:
c1(n(c(=O)n(c(=O)c1C(=N)N)C1CCCCC1)C1CCCCC1)O
Canonical SMILES:
NC(=N)c1c(O)n(C2CCCCC2)c(=O)n(c1=O)C1CCCCC1
InChI:
InChI=1S/C17H26N4O3/c18-14(19)13-15(22)20(11-7-3-1-4-8-11)17(24)21(16(13)23)12-9-5-2-6-10-12/h11-12,22H,1-10H2,(H3,18,19)
InChIKey:
LWFKHQKALBEEOQ-UHFFFAOYSA-N

Cite this record

CBID:71934 http://www.chembase.cn/molecule-71934.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dicyclohexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboximidamide
IUPAC Traditional name
1,3-dicyclohexyl-4-hydroxy-2,6-dioxopyrimidine-5-carboximidamide
Synonyms
1,3-Dicyclohexyl-6-hydroxy-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboximidamide
PubChem SID
162103798
PubChem CID
5286180

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 5286180 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.7202787  H Acceptors
H Donor LogD (pH = 5.5) -1.5105982E-4 
LogD (pH = 7.4) 0.8107228  Log P 0.8092349 
Molar Refractivity 109.5602 cm3 Polarizability 34.55996 Å3
Polar Surface Area 110.72 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
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DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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