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

C11H16N4O2 — CID 6464504

IUPACmethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H16N4O2/c1-17-10(16)9-14-5-7-15(8-6-14)11-12-3-2-4-13-11/h2-4H,5-9H2,1H3
InChIKeyLKIKANDKOLNBGH-UHFFFAOYSA-N
MW236.27 g/mol
LogP-0.23
Rot. Bonds3

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

methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate (PubChem CID 6464504) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate
PubChem CID6464504
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Namemethyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate
SMILESCOC(=O)CN1CCN(c2ncccn2)CC1
InChIInChI=1S/C11H16N4O2/c1-17-10(16)9-14-5-7-15(8-6-14)11-12-3-2-4-13-11/h2-4H,5-9H2,1H3
InChIKeyLKIKANDKOLNBGH-UHFFFAOYSA-N
XLogP-0.23
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 5-0.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate?
The IUPAC name of methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate (CID 6464504) is methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate.
What is the SMILES notation for methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate?
The canonical SMILES for methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate is COC(=O)CN1CCN(c2ncccn2)CC1.
What is the InChIKey of methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate?
The InChIKey is LKIKANDKOLNBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-17-10(16)9-14-5-7-15(8-6-14)11-12-3-2-4-13-11/h2-4H,5-9H2,1H3.
What are the key properties of methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate?
methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate has a molecular weight of 236.27 g/mol, XLogP of -0.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-pyrimidin-2-ylpiperazin-1-yl)acetate is sourced from PubChem (CID 6464504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).