5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine

C14H18N6 — CID 62698240

IUPAC5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCN(Cc3ncccn3)CC2)cn1
InChIInChI=1S/C14H18N6/c15-13-3-2-12(10-18-13)20-8-6-19(7-9-20)11-14-16-4-1-5-17-14/h1-5,10H,6-9,11H2,(H2,15,18)
InChIKeyPPUYHJLVGAJLRV-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.78
Rot. Bonds3

About 5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine

5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine (PubChem CID 62698240) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine
PubChem CID62698240
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine
SMILESNc1ccc(N2CCN(Cc3ncccn3)CC2)cn1
InChIInChI=1S/C14H18N6/c15-13-3-2-12(10-18-13)20-8-6-19(7-9-20)11-14-16-4-1-5-17-14/h1-5,10H,6-9,11H2,(H2,15,18)
InChIKeyPPUYHJLVGAJLRV-UHFFFAOYSA-N
XLogP0.78
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine?
The IUPAC name of 5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine (CID 62698240) is 5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine.
What is the SMILES notation for 5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine?
The canonical SMILES for 5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine is Nc1ccc(N2CCN(Cc3ncccn3)CC2)cn1.
What is the InChIKey of 5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine?
The InChIKey is PPUYHJLVGAJLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c15-13-3-2-12(10-18-13)20-8-6-19(7-9-20)11-14-16-4-1-5-17-14/h1-5,10H,6-9,11H2,(H2,15,18).
What are the key properties of 5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine?
5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine has a molecular weight of 270.34 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(pyrimidin-2-ylmethyl)piperazin-1-yl]pyridin-2-amine is sourced from PubChem (CID 62698240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).