2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

C13H21N3O2 — CID 103241700

IUPAC2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCCCN2C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-3-11-14-12(17)8-13(15-11)18-9-10-6-4-5-7-16(10)2/h8,10H,3-7,9H2,1-2H3,(H,14,15,17)
InChIKeyKARSIXYOCQVAAZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.20
Rot. Bonds4

About 2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (PubChem CID 103241700) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
PubChem CID103241700
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCCc1nc(OCC2CCCCN2C)cc(=O)[nH]1
InChIInChI=1S/C13H21N3O2/c1-3-11-14-12(17)8-13(15-11)18-9-10-6-4-5-7-16(10)2/h8,10H,3-7,9H2,1-2H3,(H,14,15,17)
InChIKeyKARSIXYOCQVAAZ-UHFFFAOYSA-N
XLogP1.20
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.20
H-Bond Donors ≤ 51
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
2-cyclopropyl-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634714
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
4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241410
2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241485
2-cyclopropyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241697
4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241701
4-[(1-methylpiperidin-2-yl)methoxy]-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241704
4-[2-[di(propan-2-yl)amino]ethoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241880
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939638

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (CID 103241700) is 2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one is CCc1nc(OCC2CCCCN2C)cc(=O)[nH]1.
What is the InChIKey of 2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is KARSIXYOCQVAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-11-14-12(17)8-13(15-11)18-9-10-6-4-5-7-16(10)2/h8,10H,3-7,9H2,1-2H3,(H,14,15,17).
What are the key properties of 2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.20, 4 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-2-yl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).