2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one

C12H19N3O2 — CID 114586346

IUPAC2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCNCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-10-14-11(16)7-12(15-10)17-8-9-3-5-13-6-4-9/h7,9,13H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyDGRSAOGAHLBHKT-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.71
Rot. Bonds4

About 2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one

2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586346) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586346
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCNCC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-2-10-14-11(16)7-12(15-10)17-8-9-3-5-13-6-4-9/h7,9,13H,2-6,8H2,1H3,(H,14,15,16)
InChIKeyDGRSAOGAHLBHKT-UHFFFAOYSA-N
XLogP0.71
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpiperidin-4-yl)-4-hydroxy-1H-pyrimidin-6-one
CID 22618160
4-hydroxy-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 63555169
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
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
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-(oxan-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241623
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939638
4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 104939639

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one (CID 114586346) is 2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one is CCc1nc(OCC2CCNCC2)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is DGRSAOGAHLBHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-10-14-11(16)7-12(15-10)17-8-9-3-5-13-6-4-9/h7,9,13H,2-6,8H2,1H3,(H,14,15,16).
What are the key properties of 2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one?
2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).