1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone

C16H26N6O2 — CID 56799664

IUPAC1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone
SMILESCN1CCN(C(=O)CNCc2cnc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C16H26N6O2/c1-20-2-4-21(5-3-20)15(23)13-17-10-14-11-18-16(19-12-14)22-6-8-24-9-7-22/h11-12,17H,2-10,13H2,1H3
InChIKeyUOWNOPMYUAILNN-UHFFFAOYSA-N
MW334.42 g/mol
LogP-0.82
Rot. Bonds5

About 1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone

1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone (PubChem CID 56799664) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone
PubChem CID56799664
Molecular FormulaC16H26N6O2
Molecular Weight334.42 g/mol
Exact Mass334.21
IUPAC Name1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone
SMILESCN1CCN(C(=O)CNCc2cnc(N3CCOCC3)nc2)CC1
InChIInChI=1S/C16H26N6O2/c1-20-2-4-21(5-3-20)15(23)13-17-10-14-11-18-16(19-12-14)22-6-8-24-9-7-22/h11-12,17H,2-10,13H2,1H3
InChIKeyUOWNOPMYUAILNN-UHFFFAOYSA-N
XLogP-0.82
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 5-0.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone (CID 56799664) is 1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone is CN1CCN(C(=O)CNCc2cnc(N3CCOCC3)nc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone?
The InChIKey is UOWNOPMYUAILNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-20-2-4-21(5-3-20)15(23)13-17-10-14-11-18-16(19-12-14)22-6-8-24-9-7-22/h11-12,17H,2-10,13H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone?
1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone has a molecular weight of 334.42 g/mol, XLogP of -0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]ethanone is sourced from PubChem (CID 56799664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).