6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine

C15H16N6 — CID 118499519

IUPAC6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2cn(-c3ccc4c(c3)NCCC4)nc2n1
InChIInChI=1S/C15H16N6/c1-9-18-14(16)12-8-21(20-15(12)19-9)11-5-4-10-3-2-6-17-13(10)7-11/h4-5,7-8,17H,2-3,6H2,1H3,(H2,16,18,19,20)
InChIKeyDGKRWOSJDZYHPU-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.06
Rot. Bonds1

About 6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine

6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 118499519) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID118499519
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nc(N)c2cn(-c3ccc4c(c3)NCCC4)nc2n1
InChIInChI=1S/C15H16N6/c1-9-18-14(16)12-8-21(20-15(12)19-9)11-5-4-10-3-2-6-17-13(10)7-11/h4-5,7-8,17H,2-3,6H2,1H3,(H2,16,18,19,20)
InChIKeyDGKRWOSJDZYHPU-UHFFFAOYSA-N
XLogP2.06
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 118499519) is 6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine is Cc1nc(N)c2cn(-c3ccc4c(c3)NCCC4)nc2n1.
What is the InChIKey of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DGKRWOSJDZYHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-9-18-14(16)12-8-21(20-15(12)19-9)11-5-4-10-3-2-6-17-13(10)7-11/h4-5,7-8,17H,2-3,6H2,1H3,(H2,16,18,19,20).
What are the key properties of 6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine?
6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 280.34 g/mol, XLogP of 2.06, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,2,3,4-tetrahydroquinolin-7-yl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 118499519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).