5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 137009463

IUPAC5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCC1CCN(c2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C13H21N3O2/c1-3-4-10-5-7-16(8-6-10)12-11(18-2)13(17)15-9-14-12/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyWXKOKISSXHJRRZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds4

About 5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one

5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 137009463) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID137009463
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCC1CCN(c2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C13H21N3O2/c1-3-4-10-5-7-16(8-6-10)12-11(18-2)13(17)15-9-14-12/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyWXKOKISSXHJRRZ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-methoxy-4-[3-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009788
5-methoxy-4-[4-(trifluoromethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 137009793
5-methoxy-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604875
5-methoxy-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756936
5-methoxy-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792725
5-methoxy-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586348
4-(2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridin-1-yl)-5-methoxy-1H-pyrimidin-6-one
CID 136687969
1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-3-carboxamide
CID 136687974
5-methoxy-4-(7-methyloctylamino)-1H-pyrimidin-6-one
CID 136701810
4-(2-ethylhexylamino)-5-methoxy-1H-pyrimidin-6-one
CID 136701818
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383
4-[2-(2-aminoethyl)pentylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136704105

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 137009463) is 5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one is CCCC1CCN(c2nc[nH]c(=O)c2OC)CC1.
What is the InChIKey of 5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is WXKOKISSXHJRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-4-10-5-7-16(8-6-10)12-11(18-2)13(17)15-9-14-12/h9-10H,3-8H2,1-2H3,(H,14,15,17).
What are the key properties of 5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one?
5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-4-(4-propylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137009463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).