2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol

C16H28N6O — CID 50948345

IUPAC2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)cc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C16H28N6O/c17-16-19-14(18-6-11-23)12-15(20-16)22-9-4-13(5-10-22)21-7-2-1-3-8-21/h12-13,23H,1-11H2,(H3,17,18,19,20)
InChIKeyXPXLYWKUIYUXLG-UHFFFAOYSA-N
MW320.44 g/mol
LogP0.92
Rot. Bonds5

About 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol

2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol (PubChem CID 50948345) has the molecular formula C16H28N6O and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol
PubChem CID50948345
Molecular FormulaC16H28N6O
Molecular Weight320.44 g/mol
Exact Mass320.23
IUPAC Name2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol
SMILESNc1nc(NCCO)cc(N2CCC(N3CCCCC3)CC2)n1
InChIInChI=1S/C16H28N6O/c17-16-19-14(18-6-11-23)12-15(20-16)22-9-4-13(5-10-22)21-7-2-1-3-8-21/h12-13,23H,1-11H2,(H3,17,18,19,20)
InChIKeyXPXLYWKUIYUXLG-UHFFFAOYSA-N
XLogP0.92
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol (CID 50948345) is 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol is Nc1nc(NCCO)cc(N2CCC(N3CCCCC3)CC2)n1.
What is the InChIKey of 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is XPXLYWKUIYUXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N6O/c17-16-19-14(18-6-11-23)12-15(20-16)22-9-4-13(5-10-22)21-7-2-1-3-8-21/h12-13,23H,1-11H2,(H3,17,18,19,20).
What are the key properties of 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol?
2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 320.44 g/mol, XLogP of 0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-amino-6-(4-piperidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 50948345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).