2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

C21H34N4O4 — CID 46955323

IUPAC2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESCCOc1nc(C)c(CC(=O)N2CCCCC2CN2CCOCC2)c(OCC)n1
InChIInChI=1S/C21H34N4O4/c1-4-28-20-18(16(3)22-21(23-20)29-5-2)14-19(26)25-9-7-6-8-17(25)15-24-10-12-27-13-11-24/h17H,4-15H2,1-3H3
InChIKeyQPASMUXCZCBQHN-UHFFFAOYSA-N
MW406.53 g/mol
LogP1.84
Rot. Bonds8

About 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone

2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (PubChem CID 46955323) has the molecular formula C21H34N4O4 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
PubChem CID46955323
Molecular FormulaC21H34N4O4
Molecular Weight406.53 g/mol
Exact Mass406.26
IUPAC Name2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone
SMILESCCOc1nc(C)c(CC(=O)N2CCCCC2CN2CCOCC2)c(OCC)n1
InChIInChI=1S/C21H34N4O4/c1-4-28-20-18(16(3)22-21(23-20)29-5-2)14-19(26)25-9-7-6-8-17(25)15-24-10-12-27-13-11-24/h17H,4-15H2,1-3H3
InChIKeyQPASMUXCZCBQHN-UHFFFAOYSA-N
XLogP1.84
TPSA77.02 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone (CID 46955323) is 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is CCOc1nc(C)c(CC(=O)N2CCCCC2CN2CCOCC2)c(OCC)n1.
What is the InChIKey of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
The InChIKey is QPASMUXCZCBQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N4O4/c1-4-28-20-18(16(3)22-21(23-20)29-5-2)14-19(26)25-9-7-6-8-17(25)15-24-10-12-27-13-11-24/h17H,4-15H2,1-3H3.
What are the key properties of 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone?
2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone has a molecular weight of 406.53 g/mol, XLogP of 1.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diethoxy-6-methylpyrimidin-5-yl)-1-[2-(morpholin-4-ylmethyl)piperidin-1-yl]ethanone is sourced from PubChem (CID 46955323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).