1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol

C14H22N6O — CID 63221261

IUPAC1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol
SMILESCCNc1nc(CN2CCCC(O)C2)nc2c1cnn2C
InChIInChI=1S/C14H22N6O/c1-3-15-13-11-7-16-19(2)14(11)18-12(17-13)9-20-6-4-5-10(21)8-20/h7,10,21H,3-6,8-9H2,1-2H3,(H,15,17,18)
InChIKeyCLHGTIIXVWJGLI-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.75
Rot. Bonds4

About 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol

1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol (PubChem CID 63221261) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol
PubChem CID63221261
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol
SMILESCCNc1nc(CN2CCCC(O)C2)nc2c1cnn2C
InChIInChI=1S/C14H22N6O/c1-3-15-13-11-7-16-19(2)14(11)18-12(17-13)9-20-6-4-5-10(21)8-20/h7,10,21H,3-6,8-9H2,1-2H3,(H,15,17,18)
InChIKeyCLHGTIIXVWJGLI-UHFFFAOYSA-N
XLogP0.75
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol?
The IUPAC name of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol (CID 63221261) is 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol.
What is the SMILES notation for 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol?
The canonical SMILES for 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol is CCNc1nc(CN2CCCC(O)C2)nc2c1cnn2C.
What is the InChIKey of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol?
The InChIKey is CLHGTIIXVWJGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-3-15-13-11-7-16-19(2)14(11)18-12(17-13)9-20-6-4-5-10(21)8-20/h7,10,21H,3-6,8-9H2,1-2H3,(H,15,17,18).
What are the key properties of 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol?
1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol has a molecular weight of 290.37 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylamino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 63221261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).