2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one

C11H17N3O2 — CID 104939638

IUPAC2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESCCc1nc(O[C@H]2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-9-13-10(15)6-11(14-9)16-8-4-3-5-12-7-8/h6,8,12H,2-5,7H2,1H3,(H,13,14,15)/t8-/m0/s1
InChIKeyVKICQLQTGDTFHE-QMMMGPOBSA-N
MW223.28 g/mol
LogP0.46
Rot. Bonds3

About 2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one

2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one (PubChem CID 104939638) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
PubChem CID104939638
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
SMILESCCc1nc(O[C@H]2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-2-9-13-10(15)6-11(14-9)16-8-4-3-5-12-7-8/h6,8,12H,2-5,7H2,1H3,(H,13,14,15)/t8-/m0/s1
InChIKeyVKICQLQTGDTFHE-QMMMGPOBSA-N
XLogP0.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.46
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-ethyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635013
2-cyclopropyl-4-[(6-methylmorpholin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 102635338
4-(4-methylpiperidin-3-yl)oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 102954448
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

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one (CID 104939638) is 2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one is CCc1nc(O[C@H]2CCCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
The InChIKey is VKICQLQTGDTFHE-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-9-13-10(15)6-11(14-9)16-8-4-3-5-12-7-8/h6,8,12H,2-5,7H2,1H3,(H,13,14,15)/t8-/m0/s1.
What are the key properties of 2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one?
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 104939638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).