[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine

C11H16N6 — CID 11715597

IUPAC[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-6-15-16-10(9)13-7-14-11/h6-8H,1-5,12H2,(H,13,14,15,16)
InChIKeyBZWCENMBYSCZEW-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.53
Rot. Bonds2

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

[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine (PubChem CID 11715597) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is [1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
PubChem CID11715597
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine
SMILESNCC1CCN(c2ncnc3[nH]ncc23)CC1
InChIInChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-6-15-16-10(9)13-7-14-11/h6-8H,1-5,12H2,(H,13,14,15,16)
InChIKeyBZWCENMBYSCZEW-UHFFFAOYSA-N
XLogP0.53
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
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

Analyze [1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine with MolForge

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Related Compounds

1H-Pyrazolo[3,4-d]pyrimidin-4-amine
CID 75420
2-decyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11380352
N,N-Dimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221159
n-Methyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221158
2-nonyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11149670
2-octyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 11242074
1-(1H-Pyrazolo[3,4-d]pyrimidin-4-yl)-piperidin-4-ylamine
CID 11535873
1-Ethyl-3-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)urea hydrochloride
CID 71223168
4-Piperidin-1-yl-1-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidine
CID 71225871
1-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)-3-propylurea
CID 71225882
N-ethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219754
N-propyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 221086

Frequently Asked Questions

What is the IUPAC name of [1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine?
The IUPAC name of [1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine (CID 11715597) is [1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine.
What is the SMILES notation for [1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine?
The canonical SMILES for [1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine is NCC1CCN(c2ncnc3[nH]ncc23)CC1.
What is the InChIKey of [1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine?
The InChIKey is BZWCENMBYSCZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c12-5-8-1-3-17(4-2-8)11-9-6-15-16-10(9)13-7-14-11/h6-8H,1-5,12H2,(H,13,14,15,16).
What are the key properties of [1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine?
[1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine has a molecular weight of 232.29 g/mol, XLogP of 0.53, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-yl]methanamine is sourced from PubChem (CID 11715597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).