2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one

C13H19N3O2 — CID 135896945

IUPAC2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-9-11(13(18)15-10(2)14-9)8-12(17)16-6-4-3-5-7-16/h3-8H2,1-2H3,(H,14,15,18)
InChIKeyRYKIEDSUBPANOL-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.94
Rot. Bonds2

About 2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one

2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one (PubChem CID 135896945) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
PubChem CID135896945
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one
SMILESCc1nc(C)c(CC(=O)N2CCCCC2)c(=O)[nH]1
InChIInChI=1S/C13H19N3O2/c1-9-11(13(18)15-10(2)14-9)8-12(17)16-6-4-3-5-7-16/h3-8H2,1-2H3,(H,14,15,18)
InChIKeyRYKIEDSUBPANOL-UHFFFAOYSA-N
XLogP0.94
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one
CID 11367765
ethyl 4-[2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetyl]piperazine-1-carboxylate
CID 135896960
5-[2-(4-acetyl-1,4-diazepan-1-yl)-2-oxoethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136089133
2,4-dimethyl-5-[2-[4-(2-methylpropyl)piperazin-1-yl]-2-oxoethyl]-1H-pyrimidin-6-one
CID 136124579
7-Acetyl-2-(1-propanoylpiperidin-2-yl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796538
N-(1-cycloheptyl-3-piperidinyl)-2-(2,4-dimethyl-6-oxo-1,6-dihydro-5-pyrimidinyl)acetamide
CID 136102800
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methylpropyl)acetamide
CID 135896886
N-cyclooctyl-2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135896975
2,6-dimethyl-3-ethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido(1,2-a)pyrimidine
CID 12527432
3-(2-Aminoethyl)-6,7,8,9-tetrahydro-2-methyl-4H-pyrido(1,2-a)pyrimidin-4-one dihydrochloride
CID 72942019
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 137161910
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 137161911

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one (CID 135896945) is 2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one is Cc1nc(C)c(CC(=O)N2CCCCC2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
The InChIKey is RYKIEDSUBPANOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-11(13(18)15-10(2)14-9)8-12(17)16-6-4-3-5-7-16/h3-8H2,1-2H3,(H,14,15,18).
What are the key properties of 2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one?
2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one has a molecular weight of 249.31 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135896945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).