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5-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-2-(pyridin-3-yl)pyrimidine

ChemBase ID: 320086
Molecular Formular: C21H27N5O
Molecular Mass: 365.47198
Monoisotopic Mass: 365.22156051
SMILES and InChIs

SMILES:
c1(C(=O)N2CCN(CC2)C2CCCCC2)c(nc(nc1)c1cnccc1)C
Canonical SMILES:
O=C(c1cnc(nc1C)c1cccnc1)N1CCN(CC1)C1CCCCC1
InChI:
InChI=1S/C21H27N5O/c1-16-19(15-23-20(24-16)17-6-5-9-22-14-17)21(27)26-12-10-25(11-13-26)18-7-3-2-4-8-18/h5-6,9,14-15,18H,2-4,7-8,10-13H2,1H3
InChIKey:
QDLDZMHCVYISQC-UHFFFAOYSA-N

Cite this record

CBID:320086 http://www.chembase.cn/molecule-320086.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-2-(pyridin-3-yl)pyrimidine
IUPAC Traditional name
5-(4-cyclohexylpiperazine-1-carbonyl)-4-methyl-2-(pyridin-3-yl)pyrimidine
Synonyms
5-[(4-cyclohexylpiperazin-1-yl)carbonyl]-4-methyl-2-pyridin-3-ylpyrimidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 10958411 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)
H Acceptors H Donor
LogD (pH = 5.5) -0.21119761  LogD (pH = 7.4) 1.5478133 
Log P 2.1377127  Molar Refractivity 116.5041 cm3
Polarizability 41.006874 Å3 Polar Surface Area 62.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.89  LOG S -3.48 
Polar Surface Area 62.22 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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