1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione

C9H9FN2O3 — CID 171628934

IUPAC1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@]2(F)C=COC2)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O3/c1-6-4-12(8(14)11-7(6)13)9(10)2-3-15-5-9/h2-4H,5H2,1H3,(H,11,13,14)/t9-/m0/s1
InChIKeyGJHJNIRBPUFJOE-VIFPVBQESA-N
MW212.18 g/mol
LogP0.01
Rot. Bonds1

About 1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione

1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 171628934) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is 1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione
PubChem CID171628934
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC Name1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn([C@@]2(F)C=COC2)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O3/c1-6-4-12(8(14)11-7(6)13)9(10)2-3-15-5-9/h2-4H,5H2,1H3,(H,11,13,14)/t9-/m0/s1
InChIKeyGJHJNIRBPUFJOE-VIFPVBQESA-N
XLogP0.01
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,3R,4R,5R)-4,5-diacetyl-3-fluoro-4,5-dihydroxy-2-methoxyoxan-3-yl]-5-methylpyrimidine-2,4-dione
CID 70360605
(2S,5S)-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carboxylic acid
CID 68950724
1-[(2S,5S)-2-bromo-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175251371
1-[2-(hydroxymethyl)-1,4-oxathian-2-yl]-5-methylpyrimidine-2,4-dione
CID 57012135
1-(5-ethyl-4-hydroxy-2-methyloxolan-2-yl)-5-methylpyrimidine-2,4-dione
CID 70864470
1-[(2S,5S)-5-(hydroxymethyl)-2-sulfanyloxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 87305898
1-[(2S,4S)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-1,3-dioxolan-4-yl]-5-methylpyrimidine-2,4-dione
CID 102225742
1-[(2S,4S,5R)-2-dimethylsilyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 174922887
(2S,4S,5R)-4-hydroxy-5-(hydroxymethyl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolane-2-carbonitrile
CID 10563747
1-[(2S,4S,5R)-2-ethenyl-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 67721621
1-(7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-yl)-5-methylpyrimidine-2,4-dione
CID 638926
1-[(2S,4S,5R)-2-[(3R,4S)-3,4-dihydroxyoxolan-2-yl]-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175760184

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione (CID 171628934) is 1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione is Cc1cn([C@@]2(F)C=COC2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is GJHJNIRBPUFJOE-VIFPVBQESA-N. The full InChI is InChI=1S/C9H9FN2O3/c1-6-4-12(8(14)11-7(6)13)9(10)2-3-15-5-9/h2-4H,5H2,1H3,(H,11,13,14)/t9-/m0/s1.
What are the key properties of 1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione?
1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 212.18 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-fluoro-2H-furan-3-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 171628934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).