4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine

C14H18N6 — CID 59777241

IUPAC4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESNc1nc(Cc2ccncc2)cc(N2CCNCC2)n1
InChIInChI=1S/C14H18N6/c15-14-18-12(9-11-1-3-16-4-2-11)10-13(19-14)20-7-5-17-6-8-20/h1-4,10,17H,5-9H2,(H2,15,18,19)
InChIKeyUTXWSZIZPAAWGE-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.45
Rot. Bonds3

About 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine

4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine (PubChem CID 59777241) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine
PubChem CID59777241
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine
SMILESNc1nc(Cc2ccncc2)cc(N2CCNCC2)n1
InChIInChI=1S/C14H18N6/c15-14-18-12(9-11-1-3-16-4-2-11)10-13(19-14)20-7-5-17-6-8-20/h1-4,10,17H,5-9H2,(H2,15,18,19)
InChIKeyUTXWSZIZPAAWGE-UHFFFAOYSA-N
XLogP0.45
TPSA79.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine (CID 59777241) is 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine is Nc1nc(Cc2ccncc2)cc(N2CCNCC2)n1.
What is the InChIKey of 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine?
The InChIKey is UTXWSZIZPAAWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c15-14-18-12(9-11-1-3-16-4-2-11)10-13(19-14)20-7-5-17-6-8-20/h1-4,10,17H,5-9H2,(H2,15,18,19).
What are the key properties of 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine?
4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine has a molecular weight of 270.34 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-6-(pyridin-4-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 59777241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).