5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one

C11H17N3O3 — CID 103241481

IUPAC5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCN(C)CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-14-5-3-8(4-6-14)17-11-9(16-2)10(15)12-7-13-11/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeySZJHJESHGIOEFP-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.25
Rot. Bonds3

About 5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one

5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one (PubChem CID 103241481) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
PubChem CID103241481
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
SMILESCOc1c(OC2CCN(C)CC2)nc[nH]c1=O
InChIInChI=1S/C11H17N3O3/c1-14-5-3-8(4-6-14)17-11-9(16-2)10(15)12-7-13-11/h7-8H,3-6H2,1-2H3,(H,12,13,15)
InChIKeySZJHJESHGIOEFP-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-4-[1-(1-propan-2-yloxyethyl)piperidin-4-yl]oxy-1H-pyrimidin-6-one
CID 90740852
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
4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241394
4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241415
5-methoxy-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241428
4-[3-(dimethylamino)propoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241440
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
5-methoxy-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939640
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

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one (CID 103241481) is 5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one is COc1c(OC2CCN(C)CC2)nc[nH]c1=O.
What is the InChIKey of 5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The InChIKey is SZJHJESHGIOEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-14-5-3-8(4-6-14)17-11-9(16-2)10(15)12-7-13-11/h7-8H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one has a molecular weight of 239.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).