4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide

C20H27N5O2 — CID 112974308

IUPAC4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(C)c(OCCNC(=O)N2CCN(c3ncccn3)CC2)c1C
InChIInChI=1S/C20H27N5O2/c1-15-5-6-16(2)18(17(15)3)27-14-9-23-20(26)25-12-10-24(11-13-25)19-21-7-4-8-22-19/h4-8H,9-14H2,1-3H3,(H,23,26)
InChIKeyKWGMIZBTQJUOBE-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.31
Rot. Bonds5

About 4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide

4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide (PubChem CID 112974308) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
PubChem CID112974308
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
SMILESCc1ccc(C)c(OCCNC(=O)N2CCN(c3ncccn3)CC2)c1C
InChIInChI=1S/C20H27N5O2/c1-15-5-6-16(2)18(17(15)3)27-14-9-23-20(26)25-12-10-24(11-13-25)19-21-7-4-8-22-19/h4-8H,9-14H2,1-3H3,(H,23,26)
InChIKeyKWGMIZBTQJUOBE-UHFFFAOYSA-N
XLogP2.31
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2,6-dimethylphenoxy)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 112973312
4-pyridin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974307
N-(2-phenoxyethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 18532694
4-formyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide
CID 112974263
N-[(2,3-dimethylphenoxy)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108878483
4-pyrimidin-2-yl-N-[2-(5,6,7,8-tetrahydronaphthalen-1-yloxy)ethyl]piperazine-1-carboxamide
CID 112975037
N-(2-propoxyethyl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 121495669
N-[2-(2,6-dimethylphenoxy)ethyl]azepane-1-carboxamide
CID 112973327
N-[2-(2,4-dimethylphenyl)ethyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 48637282
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251
N-[2-(2,6-dimethylphenoxy)ethyl]-4-ethylpiperazine-1-carboxamide
CID 112973265
N-[3-(4-methylphenyl)-3-oxopropyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108874684

Frequently Asked Questions

What is the IUPAC name of 4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide (CID 112974308) is 4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide is Cc1ccc(C)c(OCCNC(=O)N2CCN(c3ncccn3)CC2)c1C.
What is the InChIKey of 4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide?
The InChIKey is KWGMIZBTQJUOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-5-6-16(2)18(17(15)3)27-14-9-23-20(26)25-12-10-24(11-13-25)19-21-7-4-8-22-19/h4-8H,9-14H2,1-3H3,(H,23,26).
What are the key properties of 4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide?
4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrimidin-2-yl-N-[2-(2,3,6-trimethylphenoxy)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 112974308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).