N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine

C21H30N6 — CID 10522950

IUPACN-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
SMILESc1ccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)nc1
InChIInChI=1S/C21H30N6/c1-2-10-22-20(4-1)27-16-14-26(15-17-27)13-9-18-5-7-19(8-6-18)25-21-23-11-3-12-24-21/h1-4,10-12,18-19H,5-9,13-17H2,(H,23,24,25)
InChIKeyYKCHNWKXANLFGS-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.05
Rot. Bonds6

About N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine

N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 10522950) has the molecular formula C21H30N6 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
PubChem CID10522950
Molecular FormulaC21H30N6
Molecular Weight366.51 g/mol
Exact Mass366.25
IUPAC NameN-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine
SMILESc1ccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)nc1
InChIInChI=1S/C21H30N6/c1-2-10-22-20(4-1)27-16-14-26(15-17-27)13-9-18-5-7-19(8-6-18)25-21-23-11-3-12-24-21/h1-4,10-12,18-19H,5-9,13-17H2,(H,23,24,25)
InChIKeyYKCHNWKXANLFGS-UHFFFAOYSA-N
XLogP3.05
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine (CID 10522950) is N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine is c1ccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)nc1.
What is the InChIKey of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is YKCHNWKXANLFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6/c1-2-10-22-20(4-1)27-16-14-26(15-17-27)13-9-18-5-7-19(8-6-18)25-21-23-11-3-12-24-21/h1-4,10-12,18-19H,5-9,13-17H2,(H,23,24,25).
What are the key properties of N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine?
N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 366.51 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 10522950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).