[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol

C13H19N5O — CID 62521331

IUPAC[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCn1ncc2c(NC3(CO)CCCCC3)ncnc21
InChIInChI=1S/C13H19N5O/c1-18-12-10(7-16-18)11(14-9-15-12)17-13(8-19)5-3-2-4-6-13/h7,9,19H,2-6,8H2,1H3,(H,14,15,17)
InChIKeyWGZZHRDUDSDFAD-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.47
Rot. Bonds3

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

[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol (PubChem CID 62521331) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is [1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol
PubChem CID62521331
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol
SMILESCn1ncc2c(NC3(CO)CCCCC3)ncnc21
InChIInChI=1S/C13H19N5O/c1-18-12-10(7-16-18)11(14-9-15-12)17-13(8-19)5-3-2-4-6-13/h7,9,19H,2-6,8H2,1H3,(H,14,15,17)
InChIKeyWGZZHRDUDSDFAD-UHFFFAOYSA-N
XLogP1.47
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol with MolForge

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Related Compounds

1-(4-Aminopyrazolo[3,4-d]pyrimidin-2-yl)octan-2-ol
CID 11196323
1-((R)-4-Amino-pyrazolo[3,4-d]pyrimidin-2-yl)-decan-2-ol
CID 11289317
(2R)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol
CID 11403576
2-(ethyl(1-methyl-4-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethanol
CID 7216404
(2S)-1-(4-aminopyrazolo[3,4-d]pyrimidin-2-yl)decan-2-ol
CID 11358280
3-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-2-yl)nonan-2-ol
CID 11482813
3-[(1-Methyl-4-piperidylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol
CID 7216388
2-((1-Methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)ethanol
CID 219784
2-[(1-Tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 127035703
2-((4-Amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethanol
CID 227488
2-((6-(dimethylamino)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino)ethanol
CID 7216374
N-[1-(methoxymethyl)cyclopentyl]-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56890077

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol?
The IUPAC name of [1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol (CID 62521331) is [1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol?
The canonical SMILES for [1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol is Cn1ncc2c(NC3(CO)CCCCC3)ncnc21.
What is the InChIKey of [1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol?
The InChIKey is WGZZHRDUDSDFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-18-12-10(7-16-18)11(14-9-15-12)17-13(8-19)5-3-2-4-6-13/h7,9,19H,2-6,8H2,1H3,(H,14,15,17).
What are the key properties of [1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol?
[1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol has a molecular weight of 261.33 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]methanol is sourced from PubChem (CID 62521331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).