4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol

C9H14N6O2 — CID 171881496

IUPAC4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1[nH]nc2ncnc(N)c12
InChIInChI=1S/C9H14N6O2/c10-2-1-4(16)7(17)6-5-8(11)12-3-13-9(5)15-14-6/h3-4,7,16-17H,1-2,10H2,(H3,11,12,13,14,15)
InChIKeyWNBYUDSUMHDCBD-UHFFFAOYSA-N
MW238.25 g/mol
LogP-1.32
Rot. Bonds4

About 4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol

4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol (PubChem CID 171881496) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol.

Molecular Properties

Compound Name4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol
PubChem CID171881496
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol
SMILESNCCC(O)C(O)c1[nH]nc2ncnc(N)c12
InChIInChI=1S/C9H14N6O2/c10-2-1-4(16)7(17)6-5-8(11)12-3-13-9(5)15-14-6/h3-4,7,16-17H,1-2,10H2,(H3,11,12,13,14,15)
InChIKeyWNBYUDSUMHDCBD-UHFFFAOYSA-N
XLogP-1.32
TPSA146.96 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol?
The IUPAC name of 4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol (CID 171881496) is 4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol.
What is the SMILES notation for 4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol?
The canonical SMILES for 4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol is NCCC(O)C(O)c1[nH]nc2ncnc(N)c12.
What is the InChIKey of 4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol?
The InChIKey is WNBYUDSUMHDCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c10-2-1-4(16)7(17)6-5-8(11)12-3-13-9(5)15-14-6/h3-4,7,16-17H,1-2,10H2,(H3,11,12,13,14,15).
What are the key properties of 4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol?
4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol has a molecular weight of 238.25 g/mol, XLogP of -1.32, 4 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-amino-2H-pyrazolo[3,4-d]pyrimidin-3-yl)butane-1,2-diol is sourced from PubChem (CID 171881496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).