[1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine

C14H23N5 — CID 24691066

IUPAC[1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine
SMILESNCC1(N2CCN(c3ncccn3)CC2)CCCC1
InChIInChI=1S/C14H23N5/c15-12-14(4-1-2-5-14)19-10-8-18(9-11-19)13-16-6-3-7-17-13/h3,6-7H,1-2,4-5,8-12,15H2
InChIKeyVCSDIOYKMXCTIC-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.87
Rot. Bonds3

About [1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine

[1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine (PubChem CID 24691066) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is [1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine
PubChem CID24691066
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name[1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine
SMILESNCC1(N2CCN(c3ncccn3)CC2)CCCC1
InChIInChI=1S/C14H23N5/c15-12-14(4-1-2-5-14)19-10-8-18(9-11-19)13-16-6-3-7-17-13/h3,6-7H,1-2,4-5,8-12,15H2
InChIKeyVCSDIOYKMXCTIC-UHFFFAOYSA-N
XLogP0.87
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine (CID 24691066) is [1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine is NCC1(N2CCN(c3ncccn3)CC2)CCCC1.
What is the InChIKey of [1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
The InChIKey is VCSDIOYKMXCTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c15-12-14(4-1-2-5-14)19-10-8-18(9-11-19)13-16-6-3-7-17-13/h3,6-7H,1-2,4-5,8-12,15H2.
What are the key properties of [1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine?
[1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine has a molecular weight of 261.37 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopentyl]methanamine is sourced from PubChem (CID 24691066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).