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

C12H19N3O2 — CID 103241485

IUPAC2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCN(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-3-10-13-11(16)8-12(14-10)17-9-4-6-15(2)7-5-9/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyRGITUQZGGCHLDC-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.81
Rot. Bonds3

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

2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one (PubChem CID 103241485) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
PubChem CID103241485
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
SMILESCCc1nc(OC2CCN(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-3-10-13-11(16)8-12(14-10)17-9-4-6-15(2)7-5-9/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyRGITUQZGGCHLDC-UHFFFAOYSA-N
XLogP0.81
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635013
4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102954448
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-[3-(dimethylamino)propoxy]-1H-pyrimidin-6-one
CID 103241437
4-[3-(dimethylamino)propoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241441
4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241443
2-cyclopropyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241479
2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241483
4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241487
2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241700

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one (CID 103241485) is 2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one is CCc1nc(OC2CCN(C)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The InChIKey is RGITUQZGGCHLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-3-10-13-11(16)8-12(14-10)17-9-4-6-15(2)7-5-9/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).