6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol

C12H19N5O — CID 103917942

IUPAC6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCn1ncc2c(NCCCCCCO)ncnc21
InChIInChI=1S/C12H19N5O/c1-17-12-10(8-16-17)11(14-9-15-12)13-6-4-2-3-5-7-18/h8-9,18H,2-7H2,1H3,(H,13,14,15)
InChIKeyAZGHPQIOFNMKKR-UHFFFAOYSA-N
MW249.32 g/mol
LogP1.33
Rot. Bonds7

About 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol

6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol (PubChem CID 103917942) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol.

Molecular Properties

Compound Name6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
PubChem CID103917942
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
SMILESCn1ncc2c(NCCCCCCO)ncnc21
InChIInChI=1S/C12H19N5O/c1-17-12-10(8-16-17)11(14-9-15-12)13-6-4-2-3-5-7-18/h8-9,18H,2-7H2,1H3,(H,13,14,15)
InChIKeyAZGHPQIOFNMKKR-UHFFFAOYSA-N
XLogP1.33
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
2,2-dimethyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanoic acid
CID 114285536
N-(3-butoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431867
1-methyl-N-(3-morpholin-4-ylpropyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 22590085
4-[2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethyl]phenol
CID 47295068
N-cyclopropyl-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butanamide
CID 112730894
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 60710985
1-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-2-ol
CID 103875645
N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
N-cycloheptyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 115306725
N-[2-(4-aminopyrazol-1-yl)ethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 115320078
1-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 26017163

Frequently Asked Questions

What is the IUPAC name of 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol?
The IUPAC name of 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol (CID 103917942) is 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol.
What is the SMILES notation for 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol?
The canonical SMILES for 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol is Cn1ncc2c(NCCCCCCO)ncnc21.
What is the InChIKey of 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol?
The InChIKey is AZGHPQIOFNMKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-17-12-10(8-16-17)11(14-9-15-12)13-6-4-2-3-5-7-18/h8-9,18H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol?
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol has a molecular weight of 249.32 g/mol, XLogP of 1.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol is sourced from PubChem (CID 103917942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).