1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

C14H20N4O2 — CID 139343805

IUPAC1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCCOC=Cc1ccnc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C14H20N4O2/c1-3-20-11-5-13-4-6-15-14(16-13)18-9-7-17(8-10-18)12(2)19/h4-6,11H,3,7-10H2,1-2H3
InChIKeyPKAPOKUYBFIRMM-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.15
Rot. Bonds4

About 1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone

1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (PubChem CID 139343805) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
PubChem CID139343805
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
SMILESCCOC=Cc1ccnc(N2CCN(C(C)=O)CC2)n1
InChIInChI=1S/C14H20N4O2/c1-3-20-11-5-13-4-6-15-14(16-13)18-9-7-17(8-10-18)12(2)19/h4-6,11H,3,7-10H2,1-2H3
InChIKeyPKAPOKUYBFIRMM-UHFFFAOYSA-N
XLogP1.15
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-[4-(4-ethylpyrimidin-2-yl)piperazin-1-yl]ethanone
CID 138460359
2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109303069
1-[4-[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]piperazin-1-yl]ethanone
CID 109302025
ethyl 4-[2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carboxylate
CID 112897882
1-[4-[4-(N-methylanilino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112889034
ethyl 4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 155980463
1-[4-[4-(benzylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 54587266
ethyl 4-[4-(piperidine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109298454
ethyl 4-[4-(4-methylpiperazine-1-carbonyl)pyrimidin-2-yl]piperazine-1-carboxylate
CID 109302237
2-(4-acetylpiperazin-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109302990
tert-butyl 4-[4-[2-(4-hydroxy-2-oxo-3H-1,3-thiazol-5-yl)ethenyl]pyrimidin-2-yl]-1,4-diazepane-1-carboxylate
CID 137037026
N-cyclopropyl-4-(4-ethoxypyrimidin-2-yl)piperazine-1-carboxamide
CID 126780709

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone (CID 139343805) is 1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is CCOC=Cc1ccnc(N2CCN(C(C)=O)CC2)n1.
What is the InChIKey of 1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
The InChIKey is PKAPOKUYBFIRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-3-20-11-5-13-4-6-15-14(16-13)18-9-7-17(8-10-18)12(2)19/h4-6,11H,3,7-10H2,1-2H3.
What are the key properties of 1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone?
1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone has a molecular weight of 276.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2-ethoxyethenyl)pyrimidin-2-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139343805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).