5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one

C11H17N3O3 — CID 136702383

IUPAC5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(OC)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-8-4-3-5-14(6-8)10-9(17-2)11(15)13-7-12-10/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyAHOQLYHMCHXLFL-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.39
Rot. Bonds3

About 5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one

5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136702383) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136702383
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(N2CCCC(OC)C2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-16-8-4-3-5-14(6-8)10-9(17-2)11(15)13-7-12-10/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyAHOQLYHMCHXLFL-UHFFFAOYSA-N
XLogP0.39
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;propan-2-yl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate
CID 144094500
propan-2-yl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)oxy]piperidine-1-carboxylate
CID 144094501
5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241481
5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241699
5-methoxy-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939640
5-methoxy-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756936
5-methoxy-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792725
5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586282
5-methoxy-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586348
5-methoxy-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586402
4-(5-aminopentylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136689847
4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702378

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 136702383) is 5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one is COc1c(N2CCCC(OC)C2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is AHOQLYHMCHXLFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-16-8-4-3-5-14(6-8)10-9(17-2)11(15)13-7-12-10/h7-8H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136702383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).