4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one

C13H21N3O2 — CID 102954448

IUPAC4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CNCCC2C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-15-11(17)6-12(16-13)18-10-7-14-5-4-9(10)3/h6,8-10,14H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyVAQXXJYYBBADIF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.27
Rot. Bonds3

About 4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one

4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 102954448) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID102954448
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(OC2CNCCC2C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-8(2)13-15-11(17)6-12(16-13)18-10-7-14-5-4-9(10)3/h6,8-10,14H,4-5,7H2,1-3H3,(H,15,16,17)
InChIKeyVAQXXJYYBBADIF-UHFFFAOYSA-N
XLogP1.27
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(methylamino)cyclohexyl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634235
4-[(6-methylmorpholin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 102634872
2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635338
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954690
2-cyclopropyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954733
2-cyclopropyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241387
2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241391
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
2-cyclopropyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241479
2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241485
4-[(1-methylpiperidin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241704

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one (CID 102954448) is 4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(OC2CNCCC2C)cc(=O)[nH]1.
What is the InChIKey of 4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is VAQXXJYYBBADIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-8(2)13-15-11(17)6-12(16-13)18-10-7-14-5-4-9(10)3/h6,8-10,14H,4-5,7H2,1-3H3,(H,15,16,17).
What are the key properties of 4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one?
4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 102954448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).