2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate

C12H18N4O2 — CID 102268621

IUPAC2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H18N4O2/c1-11(17)18-10-9-15-5-7-16(8-6-15)12-13-3-2-4-14-12/h2-4H,5-10H2,1H3
InChIKeyVVQGZVHLNCKDSI-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.16
Rot. Bonds4

About 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate

2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate (PubChem CID 102268621) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate.

Molecular Properties

Compound Name2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate
PubChem CID102268621
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate
SMILESCC(=O)OCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H18N4O2/c1-11(17)18-10-9-15-5-7-16(8-6-15)12-13-3-2-4-14-12/h2-4H,5-10H2,1H3
InChIKeyVVQGZVHLNCKDSI-UHFFFAOYSA-N
XLogP0.16
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(1-Methoxy-ethyl)-pyrimidin-4-yl]-piperazine-1-sulfonic acid dimethylamide
CID 11056575
1-Piperazinepropanoic acid, beta-oxo-4-(2-pyrimidinyl)-, ethyl ester
CID 3074860
4-(2-Chloropyrimidin-4-yl)morpholine
CID 1714697
2-(4-morpholinyl)-N-2-pyrimidinylacetamide
CID 787681
1-Piperazinepropanoic acid, beta-methyl-4-(2-pyrimidinyl)-, ethyl ester
CID 3074861
Cor 3286
CID 86184
2-Pyrimidineacetic acid ethyl ester
CID 12367105
2-(4-Propionyl 1-piperazinyl)pyrimidine
CID 5134239
N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine
CID 61253199
1-Piperazinecarboxamide, N-((dimethylamino)carbonyl)-N-methyl-4-(2-pyrimidinyl)-
CID 3066970
Ethyl 2-[(4-pyrimidin-2-ylpiperazinyl)carbonylamino]acetate
CID 17174442
5-[[4-(2-Methoxyethyl)piperazin-1-yl]methyl]-2-methylpyrimidine
CID 73440651

Frequently Asked Questions

What is the IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate?
The IUPAC name of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate (CID 102268621) is 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate.
What is the SMILES notation for 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate?
The canonical SMILES for 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate is CC(=O)OCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate?
The InChIKey is VVQGZVHLNCKDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-11(17)18-10-9-15-5-7-16(8-6-15)12-13-3-2-4-14-12/h2-4H,5-10H2,1H3.
What are the key properties of 2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate?
2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl acetate has a molecular weight of 250.30 g/mol, XLogP of 0.16, 4 rotatable bonds, 0 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 acetate is sourced from PubChem (CID 102268621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).