1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione

C10H14N2O4 — CID 89429421

IUPAC1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione
SMILESCO[C@@H](/C=C\n1cc(C)c(=O)[nH]c1=O)CO
InChIInChI=1S/C10H14N2O4/c1-7-5-12(10(15)11-9(7)14)4-3-8(6-13)16-2/h3-5,8,13H,6H2,1-2H3,(H,11,14,15)/b4-3-/t8-/m0/s1
InChIKeyUNPOLUWTJVVYLK-VEMNSZJBSA-N
MW226.23 g/mol
LogP-0.68
Rot. Bonds4

About 1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione

1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione (PubChem CID 89429421) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione
PubChem CID89429421
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione
SMILESCO[C@@H](/C=C\n1cc(C)c(=O)[nH]c1=O)CO
InChIInChI=1S/C10H14N2O4/c1-7-5-12(10(15)11-9(7)14)4-3-8(6-13)16-2/h3-5,8,13H,6H2,1-2H3,(H,11,14,15)/b4-3-/t8-/m0/s1
InChIKeyUNPOLUWTJVVYLK-VEMNSZJBSA-N
XLogP-0.68
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione with MolForge

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Related Compounds

5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione
CID 54009463
5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione
CID 11344568
1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione
CID 5470771
1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione
CID 91234454
1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione
CID 102145297
1-[(2R,3R)-2,3-dihydroxy-4-(5-methyl-2,4-dioxopyrimidin-1-yl)butyl]-5-methylpyrimidine-2,4-dione
CID 24752409
1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
CID 6536769
sodium bis[(Z)-2-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate
CID 23681372
methyl 2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetate
CID 3757668
1-[4-diethoxyphosphoryl-2-(hydroxymethyl)but-3-enyl]-5-methylpyrimidine-2,4-dione
CID 173363380
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-[(2R,3S)-3-methoxybutan-2-yl]oxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67961716
potassium trifluoro-[3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-1-en-2-yl]boranuide
CID 106746423

Frequently Asked Questions

What is the IUPAC name of 1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione (CID 89429421) is 1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione is CO[C@@H](/C=C\n1cc(C)c(=O)[nH]c1=O)CO.
What is the InChIKey of 1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is UNPOLUWTJVVYLK-VEMNSZJBSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-7-5-12(10(15)11-9(7)14)4-3-8(6-13)16-2/h3-5,8,13H,6H2,1-2H3,(H,11,14,15)/b4-3-/t8-/m0/s1.
What are the key properties of 1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione?
1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 226.23 g/mol, XLogP of -0.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 89429421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).