N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine

C22H30FN5 — CID 10738750

IUPACN-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
SMILESFc1ccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)cc1
InChIInChI=1S/C22H30FN5/c23-19-4-8-21(9-5-19)28-16-14-27(15-17-28)13-10-18-2-6-20(7-3-18)26-22-24-11-1-12-25-22/h1,4-5,8-9,11-12,18,20H,2-3,6-7,10,13-17H2,(H,24,25,26)
InChIKeyFANDJZBJYJYKGY-UHFFFAOYSA-N
MW383.52 g/mol
LogP3.80
Rot. Bonds6

About N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine

N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 10738750) has the molecular formula C22H30FN5 and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
PubChem CID10738750
Molecular FormulaC22H30FN5
Molecular Weight383.52 g/mol
Exact Mass383.25
IUPAC NameN-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
SMILESFc1ccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)cc1
InChIInChI=1S/C22H30FN5/c23-19-4-8-21(9-5-19)28-16-14-27(15-17-28)13-10-18-2-6-20(7-3-18)26-22-24-11-1-12-25-22/h1,4-5,8-9,11-12,18,20H,2-3,6-7,10,13-17H2,(H,24,25,26)
InChIKeyFANDJZBJYJYKGY-UHFFFAOYSA-N
XLogP3.80
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine (CID 10738750) is N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine is Fc1ccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is FANDJZBJYJYKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5/c23-19-4-8-21(9-5-19)28-16-14-27(15-17-28)13-10-18-2-6-20(7-3-18)26-22-24-11-1-12-25-22/h1,4-5,8-9,11-12,18,20H,2-3,6-7,10,13-17H2,(H,24,25,26).
What are the key properties of N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 383.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 10738750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).