ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate

C14H22N4O3 — CID 135644883

IUPACethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(N2CCN(CC)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-3-17-5-7-18(8-6-17)14-15-11(9-12(19)16-14)10-13(20)21-4-2/h9H,3-8,10H2,1-2H3,(H,15,16,19)
InChIKeyCTDSEEWIPRQETR-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.02
Rot. Bonds5

About ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate

ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate (PubChem CID 135644883) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate
PubChem CID135644883
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Nameethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(N2CCN(CC)CC2)n1
InChIInChI=1S/C14H22N4O3/c1-3-17-5-7-18(8-6-17)14-15-11(9-12(19)16-14)10-13(20)21-4-2/h9H,3-8,10H2,1-2H3,(H,15,16,19)
InChIKeyCTDSEEWIPRQETR-UHFFFAOYSA-N
XLogP0.02
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate (CID 135644883) is ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate is CCOC(=O)Cc1cc(=O)[nH]c(N2CCN(CC)CC2)n1.
What is the InChIKey of ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate?
The InChIKey is CTDSEEWIPRQETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-3-17-5-7-18(8-6-17)14-15-11(9-12(19)16-14)10-13(20)21-4-2/h9H,3-8,10H2,1-2H3,(H,15,16,19).
What are the key properties of ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate?
ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate has a molecular weight of 294.36 g/mol, XLogP of 0.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(4-ethylpiperazin-1-yl)-6-oxo-1H-pyrimidin-4-yl]acetate is sourced from PubChem (CID 135644883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).