2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol

C11H17N5O — CID 127035703

IUPAC2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
SMILESCC(C)(C)n1ncc2c(NCCO)ncnc21
InChIInChI=1S/C11H17N5O/c1-11(2,3)16-10-8(6-15-16)9(12-4-5-17)13-7-14-10/h6-7,17H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyHVIOFAORNWHAJN-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.99
Rot. Bonds3

About 2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol

2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol (PubChem CID 127035703) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
PubChem CID127035703
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
SMILESCC(C)(C)n1ncc2c(NCCO)ncnc21
InChIInChI=1S/C11H17N5O/c1-11(2,3)16-10-8(6-15-16)9(12-4-5-17)13-7-14-10/h6-7,17H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyHVIOFAORNWHAJN-UHFFFAOYSA-N
XLogP0.99
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol 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
N-(2,2-dimethoxyethyl)-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 7197187
2-(ethyl(1-methyl-4-(piperidin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)amino)ethanol
CID 7216404
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
1-tert-butyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864305
6-Chloro-n,1-dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 220780
(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
4-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)morpholine
CID 653309

Frequently Asked Questions

What is the IUPAC name of 2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol (CID 127035703) is 2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol is CC(C)(C)n1ncc2c(NCCO)ncnc21.
What is the InChIKey of 2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
The InChIKey is HVIOFAORNWHAJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-11(2,3)16-10-8(6-15-16)9(12-4-5-17)13-7-14-10/h6-7,17H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of 2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol?
2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol has a molecular weight of 235.29 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 127035703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).