5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione

C11H16N2O4 — CID 10037283

IUPAC5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione
SMILESC=Cc1cn(CCC(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-2-9-5-13(11(17)12-10(9)16)4-3-8(6-14)7-15/h2,5,8,14-15H,1,3-4,6-7H2,(H,12,16,17)
InChIKeyFCCFPQTWFLVBCU-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.83
Rot. Bonds6

About 5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione

5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione (PubChem CID 10037283) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione
PubChem CID10037283
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Name5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione
SMILESC=Cc1cn(CCC(CO)CO)c(=O)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-2-9-5-13(11(17)12-10(9)16)4-3-8(6-14)7-15/h2,5,8,14-15H,1,3-4,6-7H2,(H,12,16,17)
InChIKeyFCCFPQTWFLVBCU-UHFFFAOYSA-N
XLogP-0.83
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione?
The IUPAC name of 5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione (CID 10037283) is 5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione is C=Cc1cn(CCC(CO)CO)c(=O)[nH]c1=O.
What is the InChIKey of 5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione?
The InChIKey is FCCFPQTWFLVBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-2-9-5-13(11(17)12-10(9)16)4-3-8(6-14)7-15/h2,5,8,14-15H,1,3-4,6-7H2,(H,12,16,17).
What are the key properties of 5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione?
5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of -0.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-[4-hydroxy-3-(hydroxymethyl)butyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10037283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).