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

C23H33N5O — CID 10786891

IUPACN-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
SMILESCOc1ccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)cc1
InChIInChI=1S/C23H33N5O/c1-29-22-9-7-21(8-10-22)28-17-15-27(16-18-28)14-11-19-3-5-20(6-4-19)26-23-24-12-2-13-25-23/h2,7-10,12-13,19-20H,3-6,11,14-18H2,1H3,(H,24,25,26)
InChIKeyKFWGIYRNIFINTL-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.67
Rot. Bonds7

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

N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 10786891) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
PubChem CID10786891
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC NameN-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine
SMILESCOc1ccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)cc1
InChIInChI=1S/C23H33N5O/c1-29-22-9-7-21(8-10-22)28-17-15-27(16-18-28)14-11-19-3-5-20(6-4-19)26-23-24-12-2-13-25-23/h2,7-10,12-13,19-20H,3-6,11,14-18H2,1H3,(H,24,25,26)
InChIKeyKFWGIYRNIFINTL-UHFFFAOYSA-N
XLogP3.67
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine (CID 10786891) is N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine is COc1ccc(N2CCN(CCC3CCC(Nc4ncccn4)CC3)CC2)cc1.
What is the InChIKey of N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is KFWGIYRNIFINTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-29-22-9-7-21(8-10-22)28-17-15-27(16-18-28)14-11-19-3-5-20(6-4-19)26-23-24-12-2-13-25-23/h2,7-10,12-13,19-20H,3-6,11,14-18H2,1H3,(H,24,25,26).
What are the key properties of N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine?
N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 395.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 10786891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).