4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile

C9H10N6O2 — CID 516156

IUPAC4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile
SMILESN#Cc1nn(COCCO)c2ncnc(N)c12
InChIInChI=1S/C9H10N6O2/c10-3-6-7-8(11)12-4-13-9(7)15(14-6)5-17-2-1-16/h4,16H,1-2,5H2,(H2,11,12,13)
InChIKeySIKQODOYOJZCFR-UHFFFAOYSA-N
MW234.22 g/mol
LogP-0.75
Rot. Bonds4

About 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile

4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile (PubChem CID 516156) has the molecular formula C9H10N6O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile
PubChem CID516156
Molecular FormulaC9H10N6O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile
SMILESN#Cc1nn(COCCO)c2ncnc(N)c12
InChIInChI=1S/C9H10N6O2/c10-3-6-7-8(11)12-4-13-9(7)15(14-6)5-17-2-1-16/h4,16H,1-2,5H2,(H2,11,12,13)
InChIKeySIKQODOYOJZCFR-UHFFFAOYSA-N
XLogP-0.75
TPSA122.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 21829246
4-amino-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 46874991
1H-Pyrazolo(3,4-d)pyrimidine-3-carbothioamide, 4-amino-1-((2-hydroxyethoxy)methyl)-
CID 3007214
1H-Pyrazolo(3,4-d)pyrimidine-3-carbonitrile, 1-((2-(acetyloxy)ethoxy)methyl)-4-amino-
CID 516152
1H-Pyrazolo(3,4-d)pyrimidine-3-carboxamide, 4-amino-1-((2-hydroxyethoxy)methyl)-
CID 516155
Methyl 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carboximidate
CID 14809279
4-Amino-1-methyl-1h-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 273010
2-(4,6-Diamino-3-methylpyrazolo[3,4-d]pyrimidin-1-yl)ethanol
CID 338653
4-Amino-1-pentofuranosyl-1h-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 280328
2-Methyl-4-(methylamino)pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 299652
4-Amino-2-methyl-2h-pyrazolo[3,4-d]pyrimidine-3-carbonitrile
CID 277434
4-Amino-3-(3-hydroxyprop-1-ynyl)pyrazolo[3,4-d]pyrimidine
CID 22145332

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile?
The IUPAC name of 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile (CID 516156) is 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile?
The canonical SMILES for 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile is N#Cc1nn(COCCO)c2ncnc(N)c12.
What is the InChIKey of 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile?
The InChIKey is SIKQODOYOJZCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N6O2/c10-3-6-7-8(11)12-4-13-9(7)15(14-6)5-17-2-1-16/h4,16H,1-2,5H2,(H2,11,12,13).
What are the key properties of 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile?
4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile has a molecular weight of 234.22 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-hydroxyethoxymethyl)pyrazolo[3,4-d]pyrimidine-3-carbonitrile is sourced from PubChem (CID 516156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).