4-piperazin-1-ylpyrimidin-2-amine

C8H13N5 — CID 19969682

IUPAC4-piperazin-1-ylpyrimidin-2-amine
SMILESNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C8H13N5/c9-8-11-2-1-7(12-8)13-5-3-10-4-6-13/h1-2,10H,3-6H2,(H2,9,11,12)
InChIKeyDWNUPEANFAMUBK-UHFFFAOYSA-N
MW179.23 g/mol
LogP-0.53
Rot. Bonds1

About 4-piperazin-1-ylpyrimidin-2-amine

4-piperazin-1-ylpyrimidin-2-amine (PubChem CID 19969682) has the molecular formula C8H13N5 and a molecular weight of 179.23 g/mol. Its IUPAC name is 4-piperazin-1-ylpyrimidin-2-amine.

Molecular Properties

Compound Name4-piperazin-1-ylpyrimidin-2-amine
PubChem CID19969682
Molecular FormulaC8H13N5
Molecular Weight179.23 g/mol
Exact Mass179.12
IUPAC Name4-piperazin-1-ylpyrimidin-2-amine
SMILESNc1nccc(N2CCNCC2)n1
InChIInChI=1S/C8H13N5/c9-8-11-2-1-7(12-8)13-5-3-10-4-6-13/h1-2,10H,3-6H2,(H2,9,11,12)
InChIKeyDWNUPEANFAMUBK-UHFFFAOYSA-N
XLogP-0.53
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-ylpyrimidin-2-amine?
The IUPAC name of 4-piperazin-1-ylpyrimidin-2-amine (CID 19969682) is 4-piperazin-1-ylpyrimidin-2-amine.
What is the SMILES notation for 4-piperazin-1-ylpyrimidin-2-amine?
The canonical SMILES for 4-piperazin-1-ylpyrimidin-2-amine is Nc1nccc(N2CCNCC2)n1.
What is the InChIKey of 4-piperazin-1-ylpyrimidin-2-amine?
The InChIKey is DWNUPEANFAMUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N5/c9-8-11-2-1-7(12-8)13-5-3-10-4-6-13/h1-2,10H,3-6H2,(H2,9,11,12).
What are the key properties of 4-piperazin-1-ylpyrimidin-2-amine?
4-piperazin-1-ylpyrimidin-2-amine has a molecular weight of 179.23 g/mol, XLogP of -0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-ylpyrimidin-2-amine is sourced from PubChem (CID 19969682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).