6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione

C14H24N2O4 — CID 106006139

IUPAC6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
SMILESCC(C)OCCCCn1c(O)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N2O4/c1-9(2)11-12(17)15-14(19)16(13(11)18)7-5-6-8-20-10(3)4/h9-10,18H,5-8H2,1-4H3,(H,15,17,19)
InChIKeyNEQNTXQXRUVILL-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.57
Rot. Bonds7

About 6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione

6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione (PubChem CID 106006139) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
PubChem CID106006139
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
SMILESCC(C)OCCCCn1c(O)c(C(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C14H24N2O4/c1-9(2)11-12(17)15-14(19)16(13(11)18)7-5-6-8-20-10(3)4/h9-10,18H,5-8H2,1-4H3,(H,15,17,19)
InChIKeyNEQNTXQXRUVILL-UHFFFAOYSA-N
XLogP1.57
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006125
6-hydroxy-1-(3-methylsulfanylbutyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 113494336
6-hydroxy-1-(3-methylbut-2-enyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 114155514
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 112599755
6-hydroxy-5-phenyl-1-(2-propan-2-yloxyethyl)pyrimidine-2,4-dione
CID 104767898
6-hydroxy-1-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-2,4-dione
CID 106422345
6-hydroxy-1-(3-methoxypropyl)-5-methylpyrimidine-2,4-dione
CID 112599165
5-chloro-1-[2-(3-propan-2-yloxypropylamino)ethyl]pyrimidine-2,4-dione
CID 66424193
6-hydroxy-5-methyl-1-octylpyrimidine-2,4-dione
CID 112601536
6-hydroxy-5-methyl-1-(3-propoxypropyl)pyrimidine-2,4-dione
CID 112601451
3-(6-hydroxy-2,4-dioxo-5-propan-2-ylpyrimidin-1-yl)-3-methylbutanamide
CID 106098930
1-butyl-6-(3,5-dimethylbenzoyl)-5-propan-2-ylpyrimidine-2,4-dione
CID 58203491

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione?
The IUPAC name of 6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione (CID 106006139) is 6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione is CC(C)OCCCCn1c(O)c(C(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione?
The InChIKey is NEQNTXQXRUVILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-9(2)11-12(17)15-14(19)16(13(11)18)7-5-6-8-20-10(3)4/h9-10,18H,5-8H2,1-4H3,(H,15,17,19).
What are the key properties of 6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione?
6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione has a molecular weight of 284.36 g/mol, XLogP of 1.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-5-propan-2-yl-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106006139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).