3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione

C14H23N3O2 — CID 853508

IUPAC3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCN1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-12-11-13(18)15(2)14(19)17(12)10-6-9-16-7-4-3-5-8-16/h11H,3-10H2,1-2H3
InChIKeyHBDFEWRWTKLDEY-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.73
Rot. Bonds4

About 3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione

3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione (PubChem CID 853508) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione
PubChem CID853508
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1CCCN1CCCCC1
InChIInChI=1S/C14H23N3O2/c1-12-11-13(18)15(2)14(19)17(12)10-6-9-16-7-4-3-5-8-16/h11H,3-10H2,1-2H3
InChIKeyHBDFEWRWTKLDEY-UHFFFAOYSA-N
XLogP0.73
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione (CID 853508) is 3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1CCCN1CCCCC1.
What is the InChIKey of 3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione?
The InChIKey is HBDFEWRWTKLDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-12-11-13(18)15(2)14(19)17(12)10-6-9-16-7-4-3-5-8-16/h11H,3-10H2,1-2H3.
What are the key properties of 3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione?
3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione has a molecular weight of 265.36 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-1-(3-piperidin-1-ylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 853508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).