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4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-phenylpyrimidine-5-carboxamide

ChemBase ID: 510265
Molecular Formular: C18H17N5O
Molecular Mass: 319.36048
Monoisotopic Mass: 319.14331019
SMILES and InChIs

SMILES:
c1(c(nc(nc1)c1ccccc1)C)C(=O)NCc1ncc(nc1)C
Canonical SMILES:
Cc1cnc(cn1)CNC(=O)c1cnc(nc1C)c1ccccc1
InChI:
InChI=1S/C18H17N5O/c1-12-8-20-15(9-19-12)10-22-18(24)16-11-21-17(23-13(16)2)14-6-4-3-5-7-14/h3-9,11H,10H2,1-2H3,(H,22,24)
InChIKey:
IHPRDFUZUYBEMA-UHFFFAOYSA-N

Cite this record

CBID:510265 http://www.chembase.cn/molecule-510265.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-phenylpyrimidine-5-carboxamide
IUPAC Traditional name
4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-phenylpyrimidine-5-carboxamide
Synonyms
4-methyl-N-[(5-methylpyrazin-2-yl)methyl]-2-phenylpyrimidine-5-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40498776 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 13.360124  H Acceptors
H Donor LogD (pH = 5.5) 1.2301394 
LogD (pH = 7.4) 1.2301936  Log P 1.2301947 
Molar Refractivity 101.0681 cm3 Polarizability 34.81859 Å3
Polar Surface Area 80.66 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.47  LOG S -2.78 
Polar Surface Area 80.66 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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