2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane

C10H17N5O — CID 165404170

IUPAC2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane
SMILESCC.Cc1nn(CCO)c2ncnc(N)c12
InChIInChI=1S/C8H11N5O.C2H6/c1-5-6-7(9)10-4-11-8(6)13(12-5)2-3-14;1-2/h4,14H,2-3H2,1H3,(H2,9,10,11);1-2H3
InChIKeyXEHDEDYGBWJJCJ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.74
Rot. Bonds2

About 2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane

2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane (PubChem CID 165404170) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane.

Molecular Properties

Compound Name2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane
PubChem CID165404170
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane
SMILESCC.Cc1nn(CCO)c2ncnc(N)c12
InChIInChI=1S/C8H11N5O.C2H6/c1-5-6-7(9)10-4-11-8(6)13(12-5)2-3-14;1-2/h4,14H,2-3H2,1H3,(H2,9,10,11);1-2H3
InChIKeyXEHDEDYGBWJJCJ-UHFFFAOYSA-N
XLogP0.74
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-Dimethyl-1h-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219860
1-(tert-butyl)-3-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine (6)
CID 59633844
(NE)-N-[(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)methylidene]hydroxylamine
CID 137148836
1H-Pyrazolo(3,4-d)pyrimidine-3-carbothioamide, 4-amino-1-((2-hydroxyethoxy)methyl)-
CID 3007214
1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 4-amino-1-((2-hydroxyethoxy)methyl)-
CID 516156
Ethanol, 2-(ethyl-(5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)amino)-
CID 3041536
2-[2-Hydroxyethyl-[3-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propyl]amino]ethanol
CID 12666101
2-Methyl-2-(7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)propan-1-ol
CID 12666107
2-(7-Methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraen-3-yl)ethanol
CID 12671256
N-[(1-isobutyl-3-pyrrolidinyl)methyl]-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56906371
N-{[1-(2-methoxyethyl)-3-pyrrolidinyl]methyl}-N,1,3-trimethyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 56912322
3-(3-Methylbut-3-en-1-ynyl)-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 57523452

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane?
The IUPAC name of 2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane (CID 165404170) is 2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane.
What is the SMILES notation for 2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane?
The canonical SMILES for 2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane is CC.Cc1nn(CCO)c2ncnc(N)c12.
What is the InChIKey of 2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane?
The InChIKey is XEHDEDYGBWJJCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O.C2H6/c1-5-6-7(9)10-4-11-8(6)13(12-5)2-3-14;1-2/h4,14H,2-3H2,1H3,(H2,9,10,11);1-2H3.
What are the key properties of 2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane?
2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane has a molecular weight of 223.28 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol;ethane is sourced from PubChem (CID 165404170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).