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N,5-dimethyl-4-[(oxolan-3-yl)amino]-N-(propan-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide

ChemBase ID: 370317
Molecular Formular: C16H22N4O2S
Molecular Mass: 334.43648
Monoisotopic Mass: 334.14634696
SMILES and InChIs

SMILES:
c1(c(c2c(s1)ncnc2NC1CCOC1)C)C(=O)N(C(C)C)C
Canonical SMILES:
CC(N(C(=O)c1sc2c(c1C)c(ncn2)NC1COCC1)C)C
InChI:
InChI=1S/C16H22N4O2S/c1-9(2)20(4)16(21)13-10(3)12-14(17-8-18-15(12)23-13)19-11-5-6-22-7-11/h8-9,11H,5-7H2,1-4H3,(H,17,18,19)
InChIKey:
VRUIWZZIIULIPU-UHFFFAOYSA-N

Cite this record

CBID:370317 http://www.chembase.cn/molecule-370317.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,5-dimethyl-4-[(oxolan-3-yl)amino]-N-(propan-2-yl)thieno[2,3-d]pyrimidine-6-carboxamide
IUPAC Traditional name
N-isopropyl-N,5-dimethyl-4-(oxolan-3-ylamino)thieno[2,3-d]pyrimidine-6-carboxamide
Synonyms
N-isopropyl-N,5-dimethyl-4-(tetrahydro-3-furanylamino)thieno[2,3-d]pyrimidine-6-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 16.804014  H Acceptors
H Donor LogD (pH = 5.5) 1.977533 
LogD (pH = 7.4) 1.978903  Log P 1.9789206 
Molar Refractivity 92.9969 cm3 Polarizability 34.53143 Å3
Polar Surface Area 67.35 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.64  LOG S -3.5 
Polar Surface Area 67.35 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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