1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione

C11H13FN2O4 — CID 59753793

IUPAC1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CC(O)C(CO)=C2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O4/c1-5-3-14(11(18)13-10(5)17)7-2-8(16)6(4-15)9(7)12/h3,7-8,15-16H,2,4H2,1H3,(H,13,17,18)
InChIKeyDOBOXVDMRIYBRA-UHFFFAOYSA-N
MW256.23 g/mol
LogP-0.63
Rot. Bonds2

About 1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione

1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione (PubChem CID 59753793) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
PubChem CID59753793
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione
SMILESCc1cn(C2CC(O)C(CO)=C2F)c(=O)[nH]c1=O
InChIInChI=1S/C11H13FN2O4/c1-5-3-14(11(18)13-10(5)17)7-2-8(16)6(4-15)9(7)12/h3,7-8,15-16H,2,4H2,1H3,(H,13,17,18)
InChIKeyDOBOXVDMRIYBRA-UHFFFAOYSA-N
XLogP-0.63
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 5-0.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 25134798
1-[(2R,4S,5R)-4,5-dihydroxyoxan-2-yl]-5-methylpyrimidine-2,4-dione
CID 14079545
1-[(1R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 6400287
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-5-methyl(1,3-15N2)pyrimidine-2,4-dione
CID 118855773
1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-5-(111C)methylpyrimidine-2,4-dione
CID 53348025
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;methane
CID 174884873
4-amino-5-fluoro-1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidin-2-one
CID 69031672
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;mercury
CID 174898498
1-[(1R,4R)-3-(18F)fluoro-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
CID 158344832
1-[(1R,2S,4S,5S)-4-hydroxy-5-(hydroxymethyl)-6-thiabicyclo[3.1.0]hexan-2-yl]-5-methylpyrimidine-2,4-dione
CID 46217900
1-[4-hydroxy-5-(hydroxymethyl)-5-methylthiolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 71317513
1-[(1S,3R)-3-hydroxycyclopentyl]-5-methylpyrimidine-2,4-dione
CID 10443092

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The IUPAC name of 1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione (CID 59753793) is 1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The canonical SMILES for 1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione is Cc1cn(C2CC(O)C(CO)=C2F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
The InChIKey is DOBOXVDMRIYBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c1-5-3-14(11(18)13-10(5)17)7-2-8(16)6(4-15)9(7)12/h3,7-8,15-16H,2,4H2,1H3,(H,13,17,18).
What are the key properties of 1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione?
1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione has a molecular weight of 256.23 g/mol, XLogP of -0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-hydroxy-3-(hydroxymethyl)cyclopent-2-en-1-yl]-5-methylpyrimidine-2,4-dione is sourced from PubChem (CID 59753793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).