1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol

C11H17N5O — CID 111118297

IUPAC1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5O/c1-3-4-8(17)5-12-10-9-6-15-16(2)11(9)14-7-13-10/h6-8,17H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyPESKJNGDZKICTF-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.94
Rot. Bonds5

About 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol

1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol (PubChem CID 111118297) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
PubChem CID111118297
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol
SMILESCCCC(O)CNc1ncnc2c1cnn2C
InChIInChI=1S/C11H17N5O/c1-3-4-8(17)5-12-10-9-6-15-16(2)11(9)14-7-13-10/h6-8,17H,3-5H2,1-2H3,(H,12,13,14)
InChIKeyPESKJNGDZKICTF-UHFFFAOYSA-N
XLogP0.94
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,2-difluoroethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 79099379
1-methoxy-4-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]butan-2-ol
CID 103875645
N-hexan-3-yl-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 62046967
(1R)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006236
(1S)-1-(4-chlorophenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 38006229
1-(4-tert-butylphenyl)-2-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]ethanol
CID 111421559
3-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]pentanoic acid
CID 81065375
1-(thieno[2,3-d]pyrimidin-4-ylamino)pentan-2-ol
CID 115622916
N-(2-chloro-2-phenylethyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 65027355
6-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]hexan-1-ol
CID 103917942
N-ethyl-N'-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)propane-1,3-diamine
CID 54906576
N-(3-butoxypropyl)-1-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110431867

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol?
The IUPAC name of 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol (CID 111118297) is 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol.
What is the SMILES notation for 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol?
The canonical SMILES for 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol is CCCC(O)CNc1ncnc2c1cnn2C.
What is the InChIKey of 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol?
The InChIKey is PESKJNGDZKICTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-3-4-8(17)5-12-10-9-6-15-16(2)11(9)14-7-13-10/h6-8,17H,3-5H2,1-2H3,(H,12,13,14).
What are the key properties of 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol?
1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol has a molecular weight of 235.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]pentan-2-ol is sourced from PubChem (CID 111118297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).