1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine

C16H27N5 — CID 104744506

IUPAC1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
SMILESCNC(CN1CCN(c2ncccn2)CC1)C1CCCC1
InChIInChI=1S/C16H27N5/c1-17-15(14-5-2-3-6-14)13-20-9-11-21(12-10-20)16-18-7-4-8-19-16/h4,7-8,14-15,17H,2-3,5-6,9-13H2,1H3
InChIKeyLOCPKPFJHNSCAM-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.38
Rot. Bonds5

About 1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine

1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine (PubChem CID 104744506) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is 1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound Name1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
PubChem CID104744506
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC Name1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine
SMILESCNC(CN1CCN(c2ncccn2)CC1)C1CCCC1
InChIInChI=1S/C16H27N5/c1-17-15(14-5-2-3-6-14)13-20-9-11-21(12-10-20)16-18-7-4-8-19-16/h4,7-8,14-15,17H,2-3,5-6,9-13H2,1H3
InChIKeyLOCPKPFJHNSCAM-UHFFFAOYSA-N
XLogP1.38
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 104752458
1-methoxy-N-methyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 107505301
(2R)-1-cyclohexyl-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-amine
CID 12052820
1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol
CID 154754238
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
1-cyclopentyl-2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-methylethanamine
CID 104745994
N-(1-cyclohexylethyl)-1-pyrimidin-2-ylpiperidin-4-amine
CID 43779445
N-propan-2-yl-1-pyrimidin-2-ylpiperidin-4-amine
CID 43675626
1-cyclopropyl-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methylethanamine
CID 63915152
N-(cyclopentylcarbamoyl)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 31698296
N-cyclohexyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 78782354
1-bromo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 112561188

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The IUPAC name of 1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine (CID 104744506) is 1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine.
What is the SMILES notation for 1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The canonical SMILES for 1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine is CNC(CN1CCN(c2ncccn2)CC1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
The InChIKey is LOCPKPFJHNSCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-17-15(14-5-2-3-6-14)13-20-9-11-21(12-10-20)16-18-7-4-8-19-16/h4,7-8,14-15,17H,2-3,5-6,9-13H2,1H3.
What are the key properties of 1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine?
1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine has a molecular weight of 289.43 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 1-cyclopentyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 104744506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).