N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine

C13H23N5 — CID 72909235

IUPACN-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCCN1CCN(CCCNc2ncccn2)CC1
InChIInChI=1S/C13H23N5/c1-2-17-9-11-18(12-10-17)8-4-7-16-13-14-5-3-6-15-13/h3,5-6H,2,4,7-12H2,1H3,(H,14,15,16)
InChIKeyFEOQMGARQOWXHF-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.92
Rot. Bonds6

About N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine

N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine (PubChem CID 72909235) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine
PubChem CID72909235
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC NameN-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine
SMILESCCN1CCN(CCCNc2ncccn2)CC1
InChIInChI=1S/C13H23N5/c1-2-17-9-11-18(12-10-17)8-4-7-16-13-14-5-3-6-15-13/h3,5-6H,2,4,7-12H2,1H3,(H,14,15,16)
InChIKeyFEOQMGARQOWXHF-UHFFFAOYSA-N
XLogP0.92
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The IUPAC name of N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine (CID 72909235) is N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine.
What is the SMILES notation for N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The canonical SMILES for N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine is CCN1CCN(CCCNc2ncccn2)CC1.
What is the InChIKey of N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine?
The InChIKey is FEOQMGARQOWXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-17-9-11-18(12-10-17)8-4-7-16-13-14-5-3-6-15-13/h3,5-6H,2,4,7-12H2,1H3,(H,14,15,16).
What are the key properties of N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine?
N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine has a molecular weight of 249.36 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethylpiperazin-1-yl)propyl]pyrimidin-2-amine is sourced from PubChem (CID 72909235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).