1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine

C14H17N5 — CID 116976141

IUPAC1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine
SMILESNC1CCN(c2ncc(-c3ccncc3)cn2)CC1
InChIInChI=1S/C14H17N5/c15-13-3-7-19(8-4-13)14-17-9-12(10-18-14)11-1-5-16-6-2-11/h1-2,5-6,9-10,13H,3-4,7-8,15H2
InChIKeyPSCVGYJMUOTOQZ-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.47
Rot. Bonds2

About 1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine

1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine (PubChem CID 116976141) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine
PubChem CID116976141
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine
SMILESNC1CCN(c2ncc(-c3ccncc3)cn2)CC1
InChIInChI=1S/C14H17N5/c15-13-3-7-19(8-4-13)14-17-9-12(10-18-14)11-1-5-16-6-2-11/h1-2,5-6,9-10,13H,3-4,7-8,15H2
InChIKeyPSCVGYJMUOTOQZ-UHFFFAOYSA-N
XLogP1.47
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine?
The IUPAC name of 1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine (CID 116976141) is 1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine.
What is the SMILES notation for 1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine?
The canonical SMILES for 1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine is NC1CCN(c2ncc(-c3ccncc3)cn2)CC1.
What is the InChIKey of 1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine?
The InChIKey is PSCVGYJMUOTOQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c15-13-3-7-19(8-4-13)14-17-9-12(10-18-14)11-1-5-16-6-2-11/h1-2,5-6,9-10,13H,3-4,7-8,15H2.
What are the key properties of 1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine?
1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine has a molecular weight of 255.33 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyridin-4-ylpyrimidin-2-yl)piperidin-4-amine is sourced from PubChem (CID 116976141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).