5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione

C14H23N3O3 — CID 115947730

IUPAC5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)CN2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O3/c1-3-11-12(18)15-14(20)17(13(11)19)10(2)9-16-7-5-4-6-8-16/h10,19H,3-9H2,1-2H3,(H,15,18,20)
InChIKeyVBLOTUWXZIVBOD-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.85
Rot. Bonds4

About 5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione

5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione (PubChem CID 115947730) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is 5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione
PubChem CID115947730
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione
SMILESCCc1c(O)n(C(C)CN2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C14H23N3O3/c1-3-11-12(18)15-14(20)17(13(11)19)10(2)9-16-7-5-4-6-8-16/h10,19H,3-9H2,1-2H3,(H,15,18,20)
InChIKeyVBLOTUWXZIVBOD-UHFFFAOYSA-N
XLogP0.85
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-ethyl-6-hydroxy-1-(6-methylheptan-2-yl)pyrimidine-2,4-dione
CID 112600250
5-ethyl-6-hydroxy-1-pentan-3-ylpyrimidine-2,4-dione
CID 112598462
2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)propanamide
CID 112599391
5-ethyl-1-(1-ethylpiperidin-3-yl)-6-hydroxypyrimidine-2,4-dione
CID 112599829
methyl 2-(5-ethyl-6-hydroxy-2,4-dioxopyrimidin-1-yl)-4-methylpentanoate
CID 115947446
3-(1-piperidin-1-ylpropan-2-yl)-1H-imidazol-2-one
CID 103125516
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
5-ethyl-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601046
1-(cyclopentylmethyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112599268
3-ethyl-4-(1-pyrrolidin-1-ylpropan-2-yl)-1H-1,2,4-triazole-5-thione
CID 61474457
6-hydroxy-5-methyl-1-pentan-2-ylpyrimidine-2,4-dione
CID 112598984
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948940

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione (CID 115947730) is 5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione is CCc1c(O)n(C(C)CN2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione?
The InChIKey is VBLOTUWXZIVBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-3-11-12(18)15-14(20)17(13(11)19)10(2)9-16-7-5-4-6-8-16/h10,19H,3-9H2,1-2H3,(H,15,18,20).
What are the key properties of 5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione?
5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione has a molecular weight of 281.36 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-6-hydroxy-1-(1-piperidin-1-ylpropan-2-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 115947730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).