1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine

C16H18N6 — CID 82192144

IUPAC1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C16H18N6/c17-12-6-8-21(9-7-12)15-14-10-20-22(16(14)19-11-18-15)13-4-2-1-3-5-13/h1-5,10-12H,6-9,17H2
InChIKeyIFJHQQQIAYIKQW-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.74
Rot. Bonds2

About 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine

1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 82192144) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID82192144
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C16H18N6/c17-12-6-8-21(9-7-12)15-14-10-20-22(16(14)19-11-18-15)13-4-2-1-3-5-13/h1-5,10-12H,6-9,17H2
InChIKeyIFJHQQQIAYIKQW-UHFFFAOYSA-N
XLogP1.74
TPSA72.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine (CID 82192144) is 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine is NC1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is IFJHQQQIAYIKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c17-12-6-8-21(9-7-12)15-14-10-20-22(16(14)19-11-18-15)13-4-2-1-3-5-13/h1-5,10-12H,6-9,17H2.
What are the key properties of 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine?
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 294.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 82192144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).