2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone

C16H25N5O3 — CID 47528270

IUPAC2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCOc1ccnc(N2CCN(CC(=O)N3CCOC(C)C3)CC2)n1
InChIInChI=1S/C16H25N5O3/c1-13-11-21(9-10-24-13)15(22)12-19-5-7-20(8-6-19)16-17-4-3-14(18-16)23-2/h3-4,13H,5-12H2,1-2H3
InChIKeyGMEPCFUZENNBDE-UHFFFAOYSA-N
MW335.41 g/mol
LogP-0.15
Rot. Bonds4

About 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone

2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone (PubChem CID 47528270) has the molecular formula C16H25N5O3 and a molecular weight of 335.41 g/mol. Its IUPAC name is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
PubChem CID47528270
Molecular FormulaC16H25N5O3
Molecular Weight335.41 g/mol
Exact Mass335.20
IUPAC Name2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone
SMILESCOc1ccnc(N2CCN(CC(=O)N3CCOC(C)C3)CC2)n1
InChIInChI=1S/C16H25N5O3/c1-13-11-21(9-10-24-13)15(22)12-19-5-7-20(8-6-19)16-17-4-3-14(18-16)23-2/h3-4,13H,5-12H2,1-2H3
InChIKeyGMEPCFUZENNBDE-UHFFFAOYSA-N
XLogP-0.15
TPSA71.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The IUPAC name of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone (CID 47528270) is 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone is COc1ccnc(N2CCN(CC(=O)N3CCOC(C)C3)CC2)n1.
What is the InChIKey of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
The InChIKey is GMEPCFUZENNBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O3/c1-13-11-21(9-10-24-13)15(22)12-19-5-7-20(8-6-19)16-17-4-3-14(18-16)23-2/h3-4,13H,5-12H2,1-2H3.
What are the key properties of 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone?
2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone has a molecular weight of 335.41 g/mol, XLogP of -0.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-1-(2-methylmorpholin-4-yl)ethanone is sourced from PubChem (CID 47528270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).