5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione

C14H23N3O2 — CID 71397479

IUPAC5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione
SMILESCC(C)CCC1C(=O)N=C(N2CCCCC2)NC1=O
InChIInChI=1S/C14H23N3O2/c1-10(2)6-7-11-12(18)15-14(16-13(11)19)17-8-4-3-5-9-17/h10-11H,3-9H2,1-2H3,(H,15,16,18,19)
InChIKeyJLASQTGFYKGJNI-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.54
Rot. Bonds3

About 5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione

5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione (PubChem CID 71397479) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione
PubChem CID71397479
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione
SMILESCC(C)CCC1C(=O)N=C(N2CCCCC2)NC1=O
InChIInChI=1S/C14H23N3O2/c1-10(2)6-7-11-12(18)15-14(16-13(11)19)17-8-4-3-5-9-17/h10-11H,3-9H2,1-2H3,(H,15,16,18,19)
InChIKeyJLASQTGFYKGJNI-UHFFFAOYSA-N
XLogP1.54
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-Methyl-2-propylimino-5-ethyl-5-(1-methylbutyl)hexahydropyrimidine-4,6-dione
CID 135565355
5-Ethyl-2-methylimino-5-(2-methylpropyl)-1,3-diazinane-4,6-dione
CID 135481767
1,5-Bis(3-methylbutyl)-1,3-diazinane-2,4,6-trione
CID 69441781
N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358431
N'-(6-oxo-4-propyl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358561
N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide
CID 121358646
N'-(4-cyclopropyl-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 121358647
N'-(6-oxo-4-propyl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 134248804
N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide;hydrochloride
CID 134248805
N'-[4-(2-methylpropyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]piperidine-1-carboximidamide
CID 134248806
N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide;hydrochloride
CID 140842934
N'-(6-oxo-4-propan-2-yl-4,5-dihydro-1H-pyrimidin-2-yl)piperidine-1-carboximidamide
CID 140842935

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione (CID 71397479) is 5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione is CC(C)CCC1C(=O)N=C(N2CCCCC2)NC1=O.
What is the InChIKey of 5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
The InChIKey is JLASQTGFYKGJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-10(2)6-7-11-12(18)15-14(16-13(11)19)17-8-4-3-5-9-17/h10-11H,3-9H2,1-2H3,(H,15,16,18,19).
What are the key properties of 5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione?
5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione has a molecular weight of 265.36 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutyl)-2-piperidin-1-yl-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 71397479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).