3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol

C11H18N6O — CID 83178553

IUPAC3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCCNc1nc(NC(C)CCO)c2cn[nH]c2n1
InChIInChI=1S/C11H18N6O/c1-3-12-11-15-9(14-7(2)4-5-18)8-6-13-17-10(8)16-11/h6-7,18H,3-5H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyHNSVKMNRYHXOPL-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.97
Rot. Bonds6

About 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol

3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol (PubChem CID 83178553) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol.

Molecular Properties

Compound Name3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol
PubChem CID83178553
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol
SMILESCCNc1nc(NC(C)CCO)c2cn[nH]c2n1
InChIInChI=1S/C11H18N6O/c1-3-12-11-15-9(14-7(2)4-5-18)8-6-13-17-10(8)16-11/h6-7,18H,3-5H2,1-2H3,(H3,12,13,14,15,16,17)
InChIKeyHNSVKMNRYHXOPL-UHFFFAOYSA-N
XLogP0.97
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol?
The IUPAC name of 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol (CID 83178553) is 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol.
What is the SMILES notation for 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol?
The canonical SMILES for 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol is CCNc1nc(NC(C)CCO)c2cn[nH]c2n1.
What is the InChIKey of 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol?
The InChIKey is HNSVKMNRYHXOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-3-12-11-15-9(14-7(2)4-5-18)8-6-13-17-10(8)16-11/h6-7,18H,3-5H2,1-2H3,(H3,12,13,14,15,16,17).
What are the key properties of 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol?
3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol has a molecular weight of 250.31 g/mol, XLogP of 0.97, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]butan-1-ol is sourced from PubChem (CID 83178553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).