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

C12H19N3O2 — CID 66329320

IUPAC5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CC2CCCCN2)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-2-9-7-15(12(17)14-11(9)16)8-10-5-3-4-6-13-10/h7,10,13H,2-6,8H2,1H3,(H,14,16,17)
InChIKeyUUYSHJGZLIVZSO-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.24
Rot. Bonds3

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

5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione (PubChem CID 66329320) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione
PubChem CID66329320
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1cn(CC2CCCCN2)c(=O)[nH]c1=O
InChIInChI=1S/C12H19N3O2/c1-2-9-7-15(12(17)14-11(9)16)8-10-5-3-4-6-13-10/h7,10,13H,2-6,8H2,1H3,(H,14,16,17)
InChIKeyUUYSHJGZLIVZSO-UHFFFAOYSA-N
XLogP0.24
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-1-(pyrrolidin-2-ylmethyl)pyrimidine-2,4-dione
CID 66423367
5-ethyl-1-(1-oxaspiro[4.5]decan-2-ylmethyl)pyrimidine-2,4-dione
CID 102901058
1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
CID 66330500
1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 10262317
7-(piperidin-2-ylmethyl)-7-azabicyclo[2.2.1]heptane
CID 131123539
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-5-ethylpyrimidine-2,4-dione
CID 79224100
2-[(4-ethyltriazol-1-yl)methyl]piperidine
CID 115019973
1-[(3-cyclopropylimidazol-4-yl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66321921
3-ethyl-7-(2-piperidin-2-ylethyl)purine-2,6-dione
CID 82465600
1-(piperidin-2-ylmethyl)-4-propylimidazolidin-2-one
CID 116979133
5-bromo-1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-2-one
CID 102819741
5-ethyl-1-(3-methyl-2-oxobutyl)pyrimidine-2,4-dione
CID 79395673

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione (CID 66329320) is 5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione is CCc1cn(CC2CCCCN2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is UUYSHJGZLIVZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-2-9-7-15(12(17)14-11(9)16)8-10-5-3-4-6-13-10/h7,10,13H,2-6,8H2,1H3,(H,14,16,17).
What are the key properties of 5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione?
5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 237.30 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(piperidin-2-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 66329320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).