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

C13H20N6O — CID 114681779

IUPAC1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2nc(N)c3cnn(C)c3n2)CCC1O
InChIInChI=1S/C13H20N6O/c1-8-6-19(4-3-10(8)20)7-11-16-12(14)9-5-15-18(2)13(9)17-11/h5,8,10,20H,3-4,6-7H2,1-2H3,(H2,14,16,17)
InChIKeyOZMFABNWNLYRMA-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.15
Rot. Bonds2

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

1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol (PubChem CID 114681779) 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]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol
PubChem CID114681779
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol
SMILESCC1CN(Cc2nc(N)c3cnn(C)c3n2)CCC1O
InChIInChI=1S/C13H20N6O/c1-8-6-19(4-3-10(8)20)7-11-16-12(14)9-5-15-18(2)13(9)17-11/h5,8,10,20H,3-4,6-7H2,1-2H3,(H2,14,16,17)
InChIKeyOZMFABNWNLYRMA-UHFFFAOYSA-N
XLogP0.15
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
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

Analyze 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol with MolForge

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Related Compounds

[1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]piperidin-4-yl]methanol
CID 63220738
1-[(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63220432
1-[(4-hydrazinyl-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidin-3-ol
CID 63222121
1-methyl-6-(1,4-thiazepan-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 63221217
6-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 83221923
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol
CID 63221261
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-4-methylpiperazine-2,3-dione
CID 63220958
methyl 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]pyrrolidine-2-carboxylate
CID 63220623
3-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-1-methylimidazolidine-2,4-dione
CID 63221411
6-[[cyclopropylmethyl(methyl)amino]methyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 63220714
1-methyl-6-[(4-methylpyrazol-1-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 63220955
(3S,4S)-1-(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)-3-(hydroxymethyl)piperidin-4-ol;formic acid
CID 155972085

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol?
The IUPAC name of 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol (CID 114681779) is 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol is CC1CN(Cc2nc(N)c3cnn(C)c3n2)CCC1O.
What is the InChIKey of 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol?
The InChIKey is OZMFABNWNLYRMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-8-6-19(4-3-10(8)20)7-11-16-12(14)9-5-15-18(2)13(9)17-11/h5,8,10,20H,3-4,6-7H2,1-2H3,(H2,14,16,17).
What are the key properties of 1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol?
1-[(4-amino-1-methylpyrazolo[3,4-d]pyrimidin-6-yl)methyl]-3-methylpiperidin-4-ol has a molecular weight of 276.34 g/mol, XLogP of 0.15, 2 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]-3-methylpiperidin-4-ol is sourced from PubChem (CID 114681779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).