5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one

C10H15N3O3 — CID 114586282

IUPAC5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-15-8-9(14)12-6-13-10(8)16-7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyVKOZOVBLZYEQOJ-UHFFFAOYSA-N
MW225.25 g/mol
LogP-0.09
Rot. Bonds3

About 5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one

5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one (PubChem CID 114586282) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one
PubChem CID114586282
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCNCC2)nc[nH]c1=O
InChIInChI=1S/C10H15N3O3/c1-15-8-9(14)12-6-13-10(8)16-7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3,(H,12,13,14)
InChIKeyVKOZOVBLZYEQOJ-UHFFFAOYSA-N
XLogP-0.09
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 90993345
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
4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241487
5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241699
4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939637
5-methoxy-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939640
5-iodo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939644
5-methoxy-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604866
5-methoxy-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113718898
5-methoxy-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756936

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one (CID 114586282) is 5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one is COc1c(OC2CCNCC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one?
The InChIKey is VKOZOVBLZYEQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-15-8-9(14)12-6-13-10(8)16-7-2-4-11-5-3-7/h6-7,11H,2-5H2,1H3,(H,12,13,14).
What are the key properties of 5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one?
5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one has a molecular weight of 225.25 g/mol, XLogP of -0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-piperidin-4-yloxy-1H-pyrimidin-6-one is sourced from PubChem (CID 114586282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).