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2,6-dimethyl-N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)pyrimidine-4-carboxamide

ChemBase ID: 341307
Molecular Formular: C16H21N5O
Molecular Mass: 299.37084
Monoisotopic Mass: 299.17461032
SMILES and InChIs

SMILES:
n1(c(ncc1)C)CC1(CC1)CNC(=O)c1nc(nc(c1)C)C
Canonical SMILES:
Cc1nc(C)nc(c1)C(=O)NCC1(CC1)Cn1ccnc1C
InChI:
InChI=1S/C16H21N5O/c1-11-8-14(20-12(2)19-11)15(22)18-9-16(4-5-16)10-21-7-6-17-13(21)3/h6-8H,4-5,9-10H2,1-3H3,(H,18,22)
InChIKey:
FGGBSMZWYVUGNH-UHFFFAOYSA-N

Cite this record

CBID:341307 http://www.chembase.cn/molecule-341307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,6-dimethyl-N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)pyrimidine-4-carboxamide
IUPAC Traditional name
2,6-dimethyl-N-({1-[(2-methylimidazol-1-yl)methyl]cyclopropyl}methyl)pyrimidine-4-carboxamide
Synonyms
2,6-dimethyl-N-({1-[(2-methyl-1H-imidazol-1-yl)methyl]cyclopropyl}methyl)pyrimidine-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.107375  H Acceptors
H Donor LogD (pH = 5.5) -0.24428308 
LogD (pH = 7.4) 0.6072193  Log P 0.8571337 
Molar Refractivity 83.745 cm3 Polarizability 31.574661 Å3
Polar Surface Area 72.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.63  LOG S -2.78 
Polar Surface Area 72.7 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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