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

C14H23N5 — CID 79465987

IUPAC3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESNC1CCCC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H23N5/c15-12-3-1-4-13(11-12)18-7-9-19(10-8-18)14-16-5-2-6-17-14/h2,5-6,12-13H,1,3-4,7-11,15H2
InChIKeyGGANQXPZWCPQKY-UHFFFAOYSA-N
MW261.37 g/mol
LogP0.87
Rot. Bonds2

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

3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine (PubChem CID 79465987) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
PubChem CID79465987
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC Name3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
SMILESNC1CCCC(N2CCN(c3ncccn3)CC2)C1
InChIInChI=1S/C14H23N5/c15-12-3-1-4-13(11-12)18-7-9-19(10-8-18)14-16-5-2-6-17-14/h2,5-6,12-13H,1,3-4,7-11,15H2
InChIKeyGGANQXPZWCPQKY-UHFFFAOYSA-N
XLogP0.87
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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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Related Compounds

2-[4-(3-methylcyclohexyl)piperazin-1-yl]pyrimidine
CID 44827945
2-[4-(4-ethylcyclohexyl)piperazin-1-yl]pyrimidine
CID 5143216
1-(1-pyrimidin-2-ylpyrrolidin-3-yl)piperidin-4-amine
CID 80553075
N-methyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762763
2-[4-(2,3-dihydro-1H-inden-2-yl)piperazin-1-yl]pyrimidine
CID 30982970
2-[4-(4-phenylcyclohexyl)piperazin-1-yl]pyrimidine
CID 19958540
(3R)-3-piperazin-1-ylcyclohexan-1-amine
CID 143940037
(3R)-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 71643779
1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 71644293
N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762762
2-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentan-1-amine
CID 79569923
2-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutane-1-carboxylic acid
CID 80997460

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine (CID 79465987) is 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine is NC1CCCC(N2CCN(c3ncccn3)CC2)C1.
What is the InChIKey of 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
The InChIKey is GGANQXPZWCPQKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c15-12-3-1-4-13(11-12)18-7-9-19(10-8-18)14-16-5-2-6-17-14/h2,5-6,12-13H,1,3-4,7-11,15H2.
What are the key properties of 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine?
3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine has a molecular weight of 261.37 g/mol, XLogP of 0.87, 2 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)cyclohexan-1-amine is sourced from PubChem (CID 79465987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).