5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

C13H22N4O2 — CID 136958209

IUPAC5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC(C)C1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C13H22N4O2/c1-9(14-2)10-5-4-6-17(7-10)12-11(19-3)13(18)16-8-15-12/h8-10,14H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyQFQOUQZEKFCTFP-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.60
Rot. Bonds4

About 5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one

5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136958209) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136958209
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCNC(C)C1CCCN(c2nc[nH]c(=O)c2OC)C1
InChIInChI=1S/C13H22N4O2/c1-9(14-2)10-5-4-6-17(7-10)12-11(19-3)13(18)16-8-15-12/h8-10,14H,4-7H2,1-3H3,(H,15,16,18)
InChIKeyQFQOUQZEKFCTFP-UHFFFAOYSA-N
XLogP0.60
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-4-[3-[1-(propylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136958196
5-methoxy-4-[3-(methylamino)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136978862
5-methoxy-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137008974
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136958326
4-[3-(ethylaminomethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 137007892
4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137015715
4-[4-(1-aminoethyl)piperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136958232
4-(3,4-dimethoxypyrrolidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136706910
5-methoxy-4-(4-propan-2-ylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 137009197
4-(3-hydroxyazetidin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136979674
N-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-4-yl]acetamide
CID 137009944

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one (CID 136958209) is 5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is CNC(C)C1CCCN(c2nc[nH]c(=O)c2OC)C1.
What is the InChIKey of 5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is QFQOUQZEKFCTFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9(14-2)10-5-4-6-17(7-10)12-11(19-3)13(18)16-8-15-12/h8-10,14H,4-7H2,1-3H3,(H,15,16,18).
What are the key properties of 5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one?
5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 266.34 g/mol, XLogP of 0.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-[3-[1-(methylamino)ethyl]piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).