2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate

C21H31N5O2 — CID 10762681

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)OCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H31N5O2/c27-20(24-21-13-16-10-17(14-21)12-18(11-16)15-21)28-9-8-25-4-6-26(7-5-25)19-22-2-1-3-23-19/h1-3,16-18H,4-15H2,(H,24,27)
InChIKeyNKPSOVIFNZASQG-UHFFFAOYSA-N
MW385.51 g/mol
LogP2.29
Rot. Bonds5

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate

2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate (PubChem CID 10762681) has the molecular formula C21H31N5O2 and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate
PubChem CID10762681
Molecular FormulaC21H31N5O2
Molecular Weight385.51 g/mol
Exact Mass385.25
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)OCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C21H31N5O2/c27-20(24-21-13-16-10-17(14-21)12-18(11-16)15-21)28-9-8-25-4-6-26(7-5-25)19-22-2-1-3-23-19/h1-3,16-18H,4-15H2,(H,24,27)
InChIKeyNKPSOVIFNZASQG-UHFFFAOYSA-N
XLogP2.29
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.51
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate 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 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate (CID 10762681) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate is O=C(NC12CC3CC(CC(C3)C1)C2)OCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate?
The InChIKey is NKPSOVIFNZASQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O2/c27-20(24-21-13-16-10-17(14-21)12-18(11-16)15-21)28-9-8-25-4-6-26(7-5-25)19-22-2-1-3-23-19/h1-3,16-18H,4-15H2,(H,24,27).
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate?
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate has a molecular weight of 385.51 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl N-(1-adamantyl)carbamate is sourced from PubChem (CID 10762681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).