3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

C11H16N6 — CID 144611389

IUPAC3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C2CCNCC2)c2ncnc(N)c12
InChIInChI=1S/C11H16N6/c1-7-9-10(12)14-6-15-11(9)17(16-7)8-2-4-13-5-3-8/h6,8,13H,2-5H2,1H3,(H2,12,14,15)
InChIKeyOKAKQVRUPMEASI-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.64
Rot. Bonds1

About 3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine

3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 144611389) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID144611389
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1nn(C2CCNCC2)c2ncnc(N)c12
InChIInChI=1S/C11H16N6/c1-7-9-10(12)14-6-15-11(9)17(16-7)8-2-4-13-5-3-8/h6,8,13H,2-5H2,1H3,(H2,12,14,15)
InChIKeyOKAKQVRUPMEASI-UHFFFAOYSA-N
XLogP0.64
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 144611388
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920
1-[1-(azetidin-3-yl)piperidin-4-yl]-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166940800
ethane;3-methyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 156857327
3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 123186043
3-methyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 157493398
3-(3-chlorophenoxy)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 59633771
3-methyl-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 57355918
tert-butyl (3R)-3-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)pyrrolidine-1-carboxylate
CID 126660812
5-bromo-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 164579497
3-(4-phenoxyphenyl)-1-[1-(1-piperidin-4-ylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 139945625
3-[4-(2-fluorophenoxy)phenyl]-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162434024

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine (CID 144611389) is 3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1nn(C2CCNCC2)c2ncnc(N)c12.
What is the InChIKey of 3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OKAKQVRUPMEASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-9-10(12)14-6-15-11(9)17(16-7)8-2-4-13-5-3-8/h6,8,13H,2-5H2,1H3,(H2,12,14,15).
What are the key properties of 3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine?
3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 144611389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).