3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine

C13H23N5 — CID 43367610

IUPAC3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
SMILESCCC(CCN)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5/c1-2-12(4-5-14)17-8-10-18(11-9-17)13-15-6-3-7-16-13/h3,6-7,12H,2,4-5,8-11,14H2,1H3
InChIKeyMEYGFWNTDOKCHR-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.73
Rot. Bonds5

About 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine

3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine (PubChem CID 43367610) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine.

Molecular Properties

Compound Name3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
PubChem CID43367610
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
SMILESCCC(CCN)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H23N5/c1-2-12(4-5-14)17-8-10-18(11-9-17)13-15-6-3-7-16-13/h3,6-7,12H,2,4-5,8-11,14H2,1H3
InChIKeyMEYGFWNTDOKCHR-UHFFFAOYSA-N
XLogP0.73
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 61375225
N-(2-methylpropyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-amine
CID 62425688
3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 60869702
N'-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)pentanimidamide
CID 43175017
3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 106875247
3-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43312455
3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine
CID 105368917
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972692
3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 62785474
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 114868977
4-amino-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)butanamide
CID 66428194
2-[4-(1-pyrazol-1-ylbutyl)piperazin-1-yl]pyrimidine
CID 173345063

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine?
The IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine (CID 43367610) is 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine.
What is the SMILES notation for 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine?
The canonical SMILES for 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine is CCC(CCN)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine?
The InChIKey is MEYGFWNTDOKCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-2-12(4-5-14)17-8-10-18(11-9-17)13-15-6-3-7-16-13/h3,6-7,12H,2,4-5,8-11,14H2,1H3.
What are the key properties of 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine?
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 0.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine is sourced from PubChem (CID 43367610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).