N-piperazin-1-ylpyrimidin-4-amine

C8H13N5 — CID 91284163

IUPACN-piperazin-1-ylpyrimidin-4-amine
SMILESc1cc(NN2CCNCC2)ncn1
InChIInChI=1S/C8H13N5/c1-2-10-7-11-8(1)12-13-5-3-9-4-6-13/h1-2,7,9H,3-6H2,(H,10,11,12)
InChIKeyNYHBYEUKXSXHHH-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.29
Rot. Bonds2

About N-piperazin-1-ylpyrimidin-4-amine

N-piperazin-1-ylpyrimidin-4-amine (PubChem CID 91284163) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is N-piperazin-1-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-piperazin-1-ylpyrimidin-4-amine
PubChem CID91284163
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC NameN-piperazin-1-ylpyrimidin-4-amine
SMILESc1cc(NN2CCNCC2)ncn1
InChIInChI=1S/C8H13N5/c1-2-10-7-11-8(1)12-13-5-3-9-4-6-13/h1-2,7,9H,3-6H2,(H,10,11,12)
InChIKeyNYHBYEUKXSXHHH-UHFFFAOYSA-N
XLogP-0.29
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-piperazin-1-ylpyrimidin-4-amine?
The IUPAC name of N-piperazin-1-ylpyrimidin-4-amine (CID 91284163) is N-piperazin-1-ylpyrimidin-4-amine.
What is the SMILES notation for N-piperazin-1-ylpyrimidin-4-amine?
The canonical SMILES for N-piperazin-1-ylpyrimidin-4-amine is c1cc(NN2CCNCC2)ncn1.
What is the InChIKey of N-piperazin-1-ylpyrimidin-4-amine?
The InChIKey is NYHBYEUKXSXHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c1-2-10-7-11-8(1)12-13-5-3-9-4-6-13/h1-2,7,9H,3-6H2,(H,10,11,12).
What are the key properties of N-piperazin-1-ylpyrimidin-4-amine?
N-piperazin-1-ylpyrimidin-4-amine has a molecular weight of 179.23 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperazin-1-ylpyrimidin-4-amine is sourced from PubChem (CID 91284163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).