2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one

C13H21N3O2 — CID 136957706

IUPAC2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCOC1CCCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C13H21N3O2/c1-3-7-18-11-5-4-6-16(9-11)12-8-13(17)15-10(2)14-12/h8,11H,3-7,9H2,1-2H3,(H,14,15,17)
InChIKeyJDTXYLJTVDVZHZ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.47
Rot. Bonds4

About 2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one

2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136957706) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136957706
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCCCOC1CCCN(c2cc(=O)[nH]c(C)n2)C1
InChIInChI=1S/C13H21N3O2/c1-3-7-18-11-5-4-6-16(9-11)12-8-13(17)15-10(2)14-12/h8,11H,3-7,9H2,1-2H3,(H,14,15,17)
InChIKeyJDTXYLJTVDVZHZ-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80806981
(3R)-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylic acid
CID 136914110
4-(3-ethylpyrrolidin-1-yl)-2-methyl-1H-pyrimidin-6-one
CID 136958092
2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977973
2-chloro-6-(3-propoxypiperidin-1-yl)pyridine-4-carbonitrile
CID 83073559
4-chloro-2-cyclopropyl-6-(3-propoxypiperidin-1-yl)pyrimidine
CID 80953514
2-propan-2-yl-6-(3-propoxypiperidin-1-yl)pyrimidin-4-amine
CID 80961896
6-(3-propoxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66450862
6-(3-propoxypiperidin-1-yl)pyridine-2-carboxylic acid
CID 62239893
2-methyl-2-[1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]propanoic acid
CID 136972363
4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-1H-pyrimidin-6-one
CID 136957825
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957833

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 136957706) is 2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one is CCCOC1CCCN(c2cc(=O)[nH]c(C)n2)C1.
What is the InChIKey of 2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is JDTXYLJTVDVZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-7-18-11-5-4-6-16(9-11)12-8-13(17)15-10(2)14-12/h8,11H,3-7,9H2,1-2H3,(H,14,15,17).
What are the key properties of 2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one?
2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 251.33 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(3-propoxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136957706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).