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7-(2,3-dimethylbenzoyl)-N,N-dimethyl-2-(pyridin-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine

ChemBase ID: 323930
Molecular Formular: C23H25N5O
Molecular Mass: 387.4775
Monoisotopic Mass: 387.20591045
SMILES and InChIs

SMILES:
n1c(c2c(nc1c1ccncc1)CN(C(=O)c1c(c(ccc1)C)C)CC2)N(C)C
Canonical SMILES:
CN(c1nc(nc2c1CCN(C2)C(=O)c1cccc(c1C)C)c1ccncc1)C
InChI:
InChI=1S/C23H25N5O/c1-15-6-5-7-18(16(15)2)23(29)28-13-10-19-20(14-28)25-21(26-22(19)27(3)4)17-8-11-24-12-9-17/h5-9,11-12H,10,13-14H2,1-4H3
InChIKey:
CWPJMNBTZPPYRH-UHFFFAOYSA-N

Cite this record

CBID:323930 http://www.chembase.cn/molecule-323930.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(2,3-dimethylbenzoyl)-N,N-dimethyl-2-(pyridin-4-yl)-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-amine
IUPAC Traditional name
7-(2,3-dimethylbenzoyl)-N,N-dimethyl-2-(pyridin-4-yl)-5H,6H,8H-pyrido[3,4-d]pyrimidin-4-amine
Synonyms
7-(2,3-dimethylbenzoyl)-N,N-dimethyl-2-(4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 4.1306276  LogD (pH = 7.4) 4.158014 
Log P 4.1583734  Molar Refractivity 127.0728 cm3
Polarizability 43.48633 Å3 Polar Surface Area 62.22 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.19  LOG S -3.9 
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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