2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C15H18N6O2 — CID 70703494

IUPAC2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccnc(OCC(=O)N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C15H18N6O2/c1-12-3-6-18-15(19-12)23-11-13(22)20-7-9-21(10-8-20)14-16-4-2-5-17-14/h2-6H,7-11H2,1H3
InChIKeyFDXMBEQTJXQHDH-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.30
Rot. Bonds4

About 2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 70703494) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID70703494
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESCc1ccnc(OCC(=O)N2CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C15H18N6O2/c1-12-3-6-18-15(19-12)23-11-13(22)20-7-9-21(10-8-20)14-16-4-2-5-17-14/h2-6H,7-11H2,1H3
InChIKeyFDXMBEQTJXQHDH-UHFFFAOYSA-N
XLogP0.30
TPSA84.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 70703494) is 2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is Cc1ccnc(OCC(=O)N2CCN(c3ncccn3)CC2)n1.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is FDXMBEQTJXQHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-12-3-6-18-15(19-12)23-11-13(22)20-7-9-21(10-8-20)14-16-4-2-5-17-14/h2-6H,7-11H2,1H3.
What are the key properties of 2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 314.35 g/mol, XLogP of 0.30, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpyrimidin-2-yl)oxy-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 70703494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).