5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione

C13H21N3O2 — CID 66323210

IUPAC5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCN2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-2-11-10-16(13(18)14-12(11)17)9-8-15-6-4-3-5-7-15/h10H,2-9H2,1H3,(H,14,17,18)
InChIKeyNQWLPJVGTGYOBT-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.58
Rot. Bonds4

About 5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione

5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione (PubChem CID 66323210) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
PubChem CID66323210
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CCN2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C13H21N3O2/c1-2-11-10-16(13(18)14-12(11)17)9-8-15-6-4-3-5-7-15/h10H,2-9H2,1H3,(H,14,17,18)
InChIKeyNQWLPJVGTGYOBT-UHFFFAOYSA-N
XLogP0.58
TPSA58.10 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 ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-N-hexyl-2,4-dioxopyrimidine-1-carboxamide
CID 71654884
5-Methyl-1-[4-(4-methyl-piperazin-1-yl)-but-2-enyl]-1H-pyrimidine-2,4-dione
CID 44333437
6-(4-ethylpiperazin-1-yl)-5-propyl-1H-pyrimidine-2,4-dione
CID 86575297
1-Hexyl-5-methylpyrimidine-2,4(1H,3H)-dione
CID 23274062
5-Methyl-1-pentylpyrimidine-2,4(1H,3H)-dione
CID 20076510
N-methyl-N-[2-(methylamino)ethyl]-2-(3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)acetamide
CID 91794706
5-(piperidin-1-ylmethyl)pyrimidine-2,4(1H,3H)-dione
CID 642681
5-(4-Methylpiperazinomethyl)uracil
CID 15031088
m-Piperidinyl thymine
CID 51050595
1-[2-(4-Ethenylpiperidin-1-yl)ethyl]-5-methylpyrimidine-2,4(1H,3H)-dione
CID 54607276
3-butyl-5-ethyl-1H-pyrimidine-2,4-dione
CID 18342188
1-Butyl-5-ethyluracil
CID 18671032

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione (CID 66323210) is 5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione is CCc1cn(CCN2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
The InChIKey is NQWLPJVGTGYOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-11-10-16(13(18)14-12(11)17)9-8-15-6-4-3-5-7-15/h10H,2-9H2,1H3,(H,14,17,18).
What are the key properties of 5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione?
5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione has a molecular weight of 251.33 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-piperidin-1-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66323210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).