1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione

C10H11FN2O3 — CID 6536769

IUPAC1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(/C=C2\CC2(F)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H11FN2O3/c1-6-3-13(9(16)12-8(6)15)4-7-2-10(7,11)5-14/h3-4,14H,2,5H2,1H3,(H,12,15,16)/b7-4+
InChIKeyOYRBYBVEHLIDQD-QPJJXVBHSA-N
MW226.21 g/mol
LogP-0.21
Rot. Bonds2

About 1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione

1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione (PubChem CID 6536769) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
PubChem CID6536769
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(/C=C2\CC2(F)CO)c(=O)[nH]c1=O
InChIInChI=1S/C10H11FN2O3/c1-6-3-13(9(16)12-8(6)15)4-7-2-10(7,11)5-14/h3-4,14H,2,5H2,1H3,(H,12,15,16)/b7-4+
InChIKeyOYRBYBVEHLIDQD-QPJJXVBHSA-N
XLogP-0.21
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(Z)-[2-(hydroxymethyl)cyclobutylidene]methyl]-5-methylpyrimidine-2,4-dione
CID 102145297
5-methyl-1-(3-oxobut-1-enyl)pyrimidine-2,4-dione
CID 54009463
1-[(Z,3S)-4-hydroxy-3-methoxybut-1-enyl]-5-methylpyrimidine-2,4-dione
CID 89429421
5-methyl-1-[(E)-pent-1-enyl]pyrimidine-2,4-dione
CID 11344568
1-[(1S,2R,3R,4R)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-5-methylpyrimidine-2,4-dione
CID 46186324
1-[3-fluoro-5-(hydroxymethyl)-3-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 91136916
1-[(Z)-4-dimethylphosphorylbut-1-enyl]-5-methylpyrimidine-2,4-dione
CID 91234454
sodium bis[(Z)-2-(hydroxymethyl)-3-(5-methyl-2,4-dioxopyrimidin-1-yl)prop-2-enyl] phosphate
CID 23681372
(2S,5S)-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 68950724
1-[(5S)-5-(hydroxymethyl)-5-methyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 169190454
(2S,4R,5R)-4-hydroxy-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbaldehyde
CID 121487533
1-[(E)-2-diethoxyphosphorylethenyl]-5-methylpyrimidine-2,4-dione
CID 5470771

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione (CID 6536769) is 1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione is Cc1cn(/C=C2\CC2(F)CO)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione?
The InChIKey is OYRBYBVEHLIDQD-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-6-3-13(9(16)12-8(6)15)4-7-2-10(7,11)5-14/h3-4,14H,2,5H2,1H3,(H,12,15,16)/b7-4+.
What are the key properties of 1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione?
1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione has a molecular weight of 226.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-[2-fluoro-2-(hydroxymethyl)cyclopropylidene]methyl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 6536769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).