2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

C18H26N6O — CID 8547521

IUPAC2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCn1ncc2c(NCCO)nc(NC34CC5CC(CC(C5)C3)C4)nc21
InChIInChI=1S/C18H26N6O/c1-24-16-14(10-20-24)15(19-2-3-25)21-17(22-16)23-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13,25H,2-9H2,1H3,(H2,19,21,22,23)
InChIKeyFGCDVTPCKCQLGT-UHFFFAOYSA-N
MW342.45 g/mol
LogP2.15
Rot. Bonds5

About 2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol

2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (PubChem CID 8547521) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
PubChem CID8547521
Molecular FormulaC18H26N6O
Molecular Weight342.45 g/mol
Exact Mass342.22
IUPAC Name2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
SMILESCn1ncc2c(NCCO)nc(NC34CC5CC(CC(C5)C3)C4)nc21
InChIInChI=1S/C18H26N6O/c1-24-16-14(10-20-24)15(19-2-3-25)21-17(22-16)23-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13,25H,2-9H2,1H3,(H2,19,21,22,23)
InChIKeyFGCDVTPCKCQLGT-UHFFFAOYSA-N
XLogP2.15
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol with MolForge

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Related Compounds

2-[[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 8547617
2-[[6-(3-chloroanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 7216354
2-[[6-(3,4-dimethoxyanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 7162561
2-[[6-(4-chloro-2-methylanilino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 8547730
2-[[1-methyl-4-[(3-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]amino]ethanol
CID 50795443
3-[[4-[(4-iodophenyl)methylamino]-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol
CID 71030668
3-[[1-methyl-4-[(3-methylphenyl)methylamino]pyrazolo[3,4-d]pyrimidin-6-yl]amino]propan-1-ol
CID 46345420
1-methyl-N-propyl-6-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795315
2-[[6-(cyclopentylamino)-1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol
CID 45497487
N'-(6-cyclopentyl-1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-methylpropane-1,3-diamine
CID 56910169
1-methyl-6-(4-methylpiperazin-1-yl)-N-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 50795322
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol (CID 8547521) is 2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is Cn1ncc2c(NCCO)nc(NC34CC5CC(CC(C5)C3)C4)nc21.
What is the InChIKey of 2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
The InChIKey is FGCDVTPCKCQLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O/c1-24-16-14(10-20-24)15(19-2-3-25)21-17(22-16)23-18-7-11-4-12(8-18)6-13(5-11)9-18/h10-13,25H,2-9H2,1H3,(H2,19,21,22,23).
What are the key properties of 2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol?
2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol has a molecular weight of 342.45 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(1-adamantylamino)-1-methylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 8547521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).