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6-(5,6-dimethylpyrimidin-4-yl)-N-methyl-4-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine

ChemBase ID: 340916
Molecular Formular: C19H25N7O
Molecular Mass: 367.4481
Monoisotopic Mass: 367.21205846
SMILES and InChIs

SMILES:
c12c(C(=O)N3CCCC3)nc(nc2CCN(c2c(c(ncn2)C)C)C1)NC
Canonical SMILES:
CNc1nc2CCN(Cc2c(n1)C(=O)N1CCCC1)c1ncnc(c1C)C
InChI:
InChI=1S/C19H25N7O/c1-12-13(2)21-11-22-17(12)26-9-6-15-14(10-26)16(24-19(20-3)23-15)18(27)25-7-4-5-8-25/h11H,4-10H2,1-3H3,(H,20,23,24)
InChIKey:
YCKZULSRAPUMIA-UHFFFAOYSA-N

Cite this record

CBID:340916 http://www.chembase.cn/molecule-340916.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-(5,6-dimethylpyrimidin-4-yl)-N-methyl-4-(pyrrolidine-1-carbonyl)-5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine
IUPAC Traditional name
6-(5,6-dimethylpyrimidin-4-yl)-N-methyl-4-(pyrrolidine-1-carbonyl)-5H,7H,8H-pyrido[4,3-d]pyrimidin-2-amine
Synonyms
6-(5,6-dimethyl-4-pyrimidinyl)-N-methyl-4-(1-pyrrolidinylcarbonyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13947022 external link Add to cart
Data Source Data ID Price
ChemBridge
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 16.060713  H Acceptors
H Donor LogD (pH = 5.5) 1.0608411 
LogD (pH = 7.4) 1.4989463  Log P 1.5089074 
Molar Refractivity 107.2864 cm3 Polarizability 38.21268 Å3
Polar Surface Area 87.14 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.44  LOG S -2.81 
Polar Surface Area 87.14 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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