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1,3-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2,6-dioxo-N-propyl-1,2,3,6-tetrahydropyrimidine-4-carboxamide

ChemBase ID: 322143
Molecular Formular: C15H21N5O3
Molecular Mass: 319.35894
Monoisotopic Mass: 319.16443956
SMILES and InChIs

SMILES:
c1(n(c(=O)n(c(=O)c1)C)C)C(=O)N(Cc1n(ccn1)C)CCC
Canonical SMILES:
CCCN(C(=O)c1cc(=O)n(c(=O)n1C)C)Cc1nccn1C
InChI:
InChI=1S/C15H21N5O3/c1-5-7-20(10-12-16-6-8-17(12)2)14(22)11-9-13(21)19(4)15(23)18(11)3/h6,8-9H,5,7,10H2,1-4H3
InChIKey:
GZPMSLFTGCTZLT-UHFFFAOYSA-N

Cite this record

CBID:322143 http://www.chembase.cn/molecule-322143.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,3-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2,6-dioxo-N-propyl-1,2,3,6-tetrahydropyrimidine-4-carboxamide
IUPAC Traditional name
1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-2,6-dioxo-N-propylpyrimidine-4-carboxamide
Synonyms
1,3-dimethyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-2,6-dioxo-N-propyl-1,2,3,6-tetrahydro-4-pyrimidinecarboxamide

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)
H Acceptors H Donor
LogD (pH = 5.5) -0.90629965  LogD (pH = 7.4) -0.3753869 
Log P -0.3577269  Molar Refractivity 85.7473 cm3
Polarizability 31.891169 Å3 Polar Surface Area 78.75 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.33  LOG S -3.12 
Polar Surface Area 82.13 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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