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

C14H24N6O — CID 106358379

IUPAC3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCCNc1nc(NC(CCO)C(C)(C)C)c2cn[nH]c2n1
InChIInChI=1S/C14H24N6O/c1-5-15-13-18-11(9-8-16-20-12(9)19-13)17-10(6-7-21)14(2,3)4/h8,10,21H,5-7H2,1-4H3,(H3,15,16,17,18,19,20)
InChIKeyIZUKJIOHTMHYQL-UHFFFAOYSA-N
MW292.39 g/mol
LogP1.99
Rot. Bonds6

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

3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol (PubChem CID 106358379) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
PubChem CID106358379
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC Name3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol
SMILESCCNc1nc(NC(CCO)C(C)(C)C)c2cn[nH]c2n1
InChIInChI=1S/C14H24N6O/c1-5-15-13-18-11(9-8-16-20-12(9)19-13)17-10(6-7-21)14(2,3)4/h8,10,21H,5-7H2,1-4H3,(H3,15,16,17,18,19,20)
InChIKeyIZUKJIOHTMHYQL-UHFFFAOYSA-N
XLogP1.99
TPSA98.75 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 51.99
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]-4,4-dimethylpentan-1-ol?
The IUPAC name of 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol (CID 106358379) is 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The canonical SMILES for 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol is CCNc1nc(NC(CCO)C(C)(C)C)c2cn[nH]c2n1.
What is the InChIKey of 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
The InChIKey is IZUKJIOHTMHYQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-5-15-13-18-11(9-8-16-20-12(9)19-13)17-10(6-7-21)14(2,3)4/h8,10,21H,5-7H2,1-4H3,(H3,15,16,17,18,19,20).
What are the key properties of 3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol?
3-[[6-(ethylamino)-1H-pyrazolo[5,4-d]pyrimidin-4-yl]amino]-4,4-dimethylpentan-1-ol has a molecular weight of 292.39 g/mol, XLogP of 1.99, 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]-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106358379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).