3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine

C13H22ClN5 — CID 105368917

IUPAC3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2ncncc2Cl)CC1
InChIInChI=1S/C13H22ClN5/c1-2-11(3-4-15)18-5-7-19(8-6-18)13-12(14)9-16-10-17-13/h9-11H,2-8,15H2,1H3
InChIKeyGUYRWPBPASRJBO-UHFFFAOYSA-N
MW283.81 g/mol
LogP1.38
Rot. Bonds5

About 3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine

3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine (PubChem CID 105368917) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine.

Molecular Properties

Compound Name3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine
PubChem CID105368917
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine
SMILESCCC(CCN)N1CCN(c2ncncc2Cl)CC1
InChIInChI=1S/C13H22ClN5/c1-2-11(3-4-15)18-5-7-19(8-6-18)13-12(14)9-16-10-17-13/h9-11H,2-8,15H2,1H3
InChIKeyGUYRWPBPASRJBO-UHFFFAOYSA-N
XLogP1.38
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-(3-chloro-2-pyridinyl)-1,4-diazepan-1-yl]pentan-1-amine
CID 60869702
3-(4-pyrimidin-2-ylpiperazin-1-yl)pentan-1-amine
CID 43367610
2-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]-N'-hydroxypentanimidamide
CID 105369063
4-[4-(1-aminopentan-3-yl)piperazin-1-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972692
3-[4-(3-bromo-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 61375225
3-[4-(3-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 106875247
[4-(1-aminopentan-3-yl)piperazin-1-yl]-pyrimidin-5-ylmethanone
CID 102921173
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685
3-[4-(5-bromo-4-methyl-2-pyridinyl)piperazin-1-yl]pentan-1-amine
CID 114868977
4-(5-chloropyrimidin-4-yl)-N-ethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 126804573
3-[4-(2-methylpyrimidin-4-yl)-1,4-diazepan-1-yl]pentan-1-amine
CID 62785474
2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]butan-1-amine
CID 55203317

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine?
The IUPAC name of 3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine (CID 105368917) is 3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine.
What is the SMILES notation for 3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine?
The canonical SMILES for 3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine is CCC(CCN)N1CCN(c2ncncc2Cl)CC1.
What is the InChIKey of 3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine?
The InChIKey is GUYRWPBPASRJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-2-11(3-4-15)18-5-7-19(8-6-18)13-12(14)9-16-10-17-13/h9-11H,2-8,15H2,1H3.
What are the key properties of 3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine?
3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine has a molecular weight of 283.81 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloropyrimidin-4-yl)piperazin-1-yl]pentan-1-amine is sourced from PubChem (CID 105368917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).