3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol

C14H22N6O — CID 7216388

IUPAC3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol
SMILESCn1ncc2c(N3CCCCC3)nc(NCCCO)nc21
InChIInChI=1S/C14H22N6O/c1-19-12-11(10-16-19)13(20-7-3-2-4-8-20)18-14(17-12)15-6-5-9-21/h10,21H,2-9H2,1H3,(H,15,17,18)
InChIKeyRXHOCMUNDDDBDD-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.15
Rot. Bonds5

About 3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol

3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol (PubChem CID 7216388) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol
PubChem CID7216388
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol
SMILESCn1ncc2c(N3CCCCC3)nc(NCCCO)nc21
InChIInChI=1S/C14H22N6O/c1-19-12-11(10-16-19)13(20-7-3-2-4-8-20)18-14(17-12)15-6-5-9-21/h10,21H,2-9H2,1H3,(H,15,17,18)
InChIKeyRXHOCMUNDDDBDD-UHFFFAOYSA-N
XLogP1.15
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol?
The IUPAC name of 3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol (CID 7216388) is 3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol.
What is the SMILES notation for 3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol?
The canonical SMILES for 3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol is Cn1ncc2c(N3CCCCC3)nc(NCCCO)nc21.
What is the InChIKey of 3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol?
The InChIKey is RXHOCMUNDDDBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-19-12-11(10-16-19)13(20-7-3-2-4-8-20)18-14(17-12)15-6-5-9-21/h10,21H,2-9H2,1H3,(H,15,17,18).
What are the key properties of 3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol?
3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol has a molecular weight of 290.37 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-4-piperidin-1-ylpyrazolo[5,4-d]pyrimidin-6-yl)amino]propan-1-ol is sourced from PubChem (CID 7216388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).