3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine

C11H16N6 — CID 178107069

IUPAC3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCC1CN(c2ncnc3[nH]ncc23)CCC1N
InChIInChI=1S/C11H16N6/c1-7-5-17(3-2-9(7)12)11-8-4-15-16-10(8)13-6-14-11/h4,6-7,9H,2-3,5,12H2,1H3,(H,13,14,15,16)
InChIKeyNRXGTHNKMYTMBS-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.53
Rot. Bonds1

About 3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine

3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 178107069) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID178107069
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
SMILESCC1CN(c2ncnc3[nH]ncc23)CCC1N
InChIInChI=1S/C11H16N6/c1-7-5-17(3-2-9(7)12)11-8-4-15-16-10(8)13-6-14-11/h4,6-7,9H,2-3,5,12H2,1H3,(H,13,14,15,16)
InChIKeyNRXGTHNKMYTMBS-UHFFFAOYSA-N
XLogP0.53
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4R)-3-(hydroxymethyl)-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-ol
CID 134711259
1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylic acid
CID 84818655
4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 138511220
4-(azetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 131087765
4-(2-methylazetidin-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 178104944
4-(3-methylsulfanylazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133395111
5-chloro-N-methyl-N-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrimidin-2-amine
CID 163344597
4-[3-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71862723
ethyl 1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 42226847
4-[3-(3-phenylpropoxy)pyrrolidin-1-yl]-1H-pyrazolo[5,4-d]pyrimidine
CID 71975881
4-(2-azabicyclo[2.2.1]heptan-2-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 133269772
4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrazolo[5,4-d]pyrimidine
CID 16627028

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of 3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine (CID 178107069) is 3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for 3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine is CC1CN(c2ncnc3[nH]ncc23)CCC1N.
What is the InChIKey of 3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is NRXGTHNKMYTMBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-5-17(3-2-9(7)12)11-8-4-15-16-10(8)13-6-14-11/h4,6-7,9H,2-3,5,12H2,1H3,(H,13,14,15,16).
What are the key properties of 3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 232.29 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 178107069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).