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

C12H18N4O2 — CID 15589464

IUPACethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H18N4O2/c1-2-18-11(17)10-15-6-8-16(9-7-15)12-13-4-3-5-14-12/h3-5H,2,6-10H2,1H3
InChIKeyQAIKVSGMHGDHFV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.16
Rot. Bonds4

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

ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate (PubChem CID 15589464) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate
PubChem CID15589464
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Nameethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate
SMILESCCOC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C12H18N4O2/c1-2-18-11(17)10-15-6-8-16(9-7-15)12-13-4-3-5-14-12/h3-5H,2,6-10H2,1H3
InChIKeyQAIKVSGMHGDHFV-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

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CID 787681
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CID 3074861
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CID 86184
CID 86184
CID 8196375
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CID 17174442
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CID 75369968
CID 75369968
CID 118744485
CID 118744485
CID 13360715
CID 13360715
CID 651793
CID 651793
CID 459824
CID 459824

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate?
The IUPAC name of ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate (CID 15589464) is ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate is CCOC(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate?
The InChIKey is QAIKVSGMHGDHFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-18-11(17)10-15-6-8-16(9-7-15)12-13-4-3-5-14-12/h3-5H,2,6-10H2,1H3.
What are the key properties of ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate?
ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)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 ethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate is sourced from PubChem (CID 15589464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).