2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol

C11H16F2N6O — CID 107495227

IUPAC2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCCNc1nc(N(CCO)CC(F)F)c2cn[nH]c2n1
InChIInChI=1S/C11H16F2N6O/c1-2-14-11-16-9-7(5-15-18-9)10(17-11)19(3-4-20)6-8(12)13/h5,8,20H,2-4,6H2,1H3,(H2,14,15,16,17,18)
InChIKeyLVBWASGPICKEKW-UHFFFAOYSA-N
MW286.29 g/mol
LogP0.85
Rot. Bonds7

About 2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol

2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 107495227) has the molecular formula C11H16F2N6O and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol
PubChem CID107495227
Molecular FormulaC11H16F2N6O
Molecular Weight286.29 g/mol
Exact Mass286.14
IUPAC Name2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCCNc1nc(N(CCO)CC(F)F)c2cn[nH]c2n1
InChIInChI=1S/C11H16F2N6O/c1-2-14-11-16-9-7(5-15-18-9)10(17-11)19(3-4-20)6-8(12)13/h5,8,20H,2-4,6H2,1H3,(H2,14,15,16,17,18)
InChIKeyLVBWASGPICKEKW-UHFFFAOYSA-N
XLogP0.85
TPSA89.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol (CID 107495227) is 2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol is CCNc1nc(N(CCO)CC(F)F)c2cn[nH]c2n1.
What is the InChIKey of 2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is LVBWASGPICKEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N6O/c1-2-14-11-16-9-7(5-15-18-9)10(17-11)19(3-4-20)6-8(12)13/h5,8,20H,2-4,6H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol?
2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 286.29 g/mol, XLogP of 0.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 107495227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).