N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine

C16H27N5 — CID 114762762

IUPACN-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C16H27N5/c1-2-17-14-4-6-15(7-5-14)20-10-12-21(13-11-20)16-18-8-3-9-19-16/h3,8-9,14-15,17H,2,4-7,10-13H2,1H3
InChIKeyJIEIKXCEUJADJU-UHFFFAOYSA-N
MW289.43 g/mol
LogP1.52
Rot. Bonds4

About N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine

N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 114762762) has the molecular formula C16H27N5 and a molecular weight of 289.43 g/mol. Its IUPAC name is N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID114762762
Molecular FormulaC16H27N5
Molecular Weight289.43 g/mol
Exact Mass289.23
IUPAC NameN-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESCCNC1CCC(N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C16H27N5/c1-2-17-14-4-6-15(7-5-14)20-10-12-21(13-11-20)16-18-8-3-9-19-16/h3,8-9,14-15,17H,2,4-7,10-13H2,1H3
InChIKeyJIEIKXCEUJADJU-UHFFFAOYSA-N
XLogP1.52
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.43
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine (CID 114762762) is N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine is CCNC1CCC(N2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is JIEIKXCEUJADJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5/c1-2-17-14-4-6-15(7-5-14)20-10-12-21(13-11-20)16-18-8-3-9-19-16/h3,8-9,14-15,17H,2,4-7,10-13H2,1H3.
What are the key properties of N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 289.43 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 114762762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).