4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine

C12H19N3O2 — CID 66327607

IUPAC4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
SMILESCCOc1ncnc(OC2CCNCC2)c1C
InChIInChI=1S/C12H19N3O2/c1-3-16-11-9(2)12(15-8-14-11)17-10-4-6-13-7-5-10/h8,10,13H,3-7H2,1-2H3
InChIKeyHZMXWHQIBVOTLU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.31
Rot. Bonds4

About 4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine

4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine (PubChem CID 66327607) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine.

Molecular Properties

Compound Name4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
PubChem CID66327607
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine
SMILESCCOc1ncnc(OC2CCNCC2)c1C
InChIInChI=1S/C12H19N3O2/c1-3-16-11-9(2)12(15-8-14-11)17-10-4-6-13-7-5-10/h8,10,13H,3-7H2,1-2H3
InChIKeyHZMXWHQIBVOTLU-UHFFFAOYSA-N
XLogP1.31
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine?
The IUPAC name of 4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine (CID 66327607) is 4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine.
What is the SMILES notation for 4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine?
The canonical SMILES for 4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine is CCOc1ncnc(OC2CCNCC2)c1C.
What is the InChIKey of 4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine?
The InChIKey is HZMXWHQIBVOTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-16-11-9(2)12(15-8-14-11)17-10-4-6-13-7-5-10/h8,10,13H,3-7H2,1-2H3.
What are the key properties of 4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine?
4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine has a molecular weight of 237.30 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-5-methyl-6-piperidin-4-yloxypyrimidine is sourced from PubChem (CID 66327607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).