[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol

C13H20N6O — CID 63220738

IUPAC[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol
SMILESCn1ncc2c(N)nc(CN3CCC(CO)CC3)nc21
InChIInChI=1S/C13H20N6O/c1-18-13-10(6-15-18)12(14)16-11(17-13)7-19-4-2-9(8-20)3-5-19/h6,9,20H,2-5,7-8H2,1H3,(H2,14,16,17)
InChIKeyKCNDEIVOBJDJPG-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.15
Rot. Bonds3

About [1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol

[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol (PubChem CID 63220738) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is [1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol
PubChem CID63220738
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol
SMILESCn1ncc2c(N)nc(CN3CCC(CO)CC3)nc21
InChIInChI=1S/C13H20N6O/c1-18-13-10(6-15-18)12(14)16-11(17-13)7-19-4-2-9(8-20)3-5-19/h6,9,20H,2-5,7-8H2,1H3,(H2,14,16,17)
InChIKeyKCNDEIVOBJDJPG-UHFFFAOYSA-N
XLogP0.15
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol (CID 63220738) is [1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol is Cn1ncc2c(N)nc(CN3CCC(CO)CC3)nc21.
What is the InChIKey of [1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol?
The InChIKey is KCNDEIVOBJDJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-18-13-10(6-15-18)12(14)16-11(17-13)7-19-4-2-9(8-20)3-5-19/h6,9,20H,2-5,7-8H2,1H3,(H2,14,16,17).
What are the key properties of [1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol?
[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol has a molecular weight of 276.34 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 63220738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).