1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione

C10H13FN2O5 — CID 153342155

IUPAC1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2C[C@](F)(CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H13FN2O5/c11-10(4-14)3-5(7(16)8(10)17)13-2-1-6(15)12-9(13)18/h1-2,5,7-8,14,16-17H,3-4H2,(H,12,15,18)/t5-,7+,8+,10+/m1/s1
InChIKeyMRUFBEHAKAQUNV-CERHOOOWSA-N
MW260.22 g/mol
LogP-2.10
Rot. Bonds2

About 1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione

1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione (PubChem CID 153342155) has the molecular formula C10H13FN2O5 and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
PubChem CID153342155
Molecular FormulaC10H13FN2O5
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2C[C@](F)(CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C10H13FN2O5/c11-10(4-14)3-5(7(16)8(10)17)13-2-1-6(15)12-9(13)18/h1-2,5,7-8,14,16-17H,3-4H2,(H,12,15,18)/t5-,7+,8+,10+/m1/s1
InChIKeyMRUFBEHAKAQUNV-CERHOOOWSA-N
XLogP-2.10
TPSA115.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 5-2.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione with MolForge

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Related Compounds

1-[(2R,4S)-4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 70294441
1-[4-fluoro-4-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 18783254
1-[(2R,3S,5S)-5-(fluoromethyl)-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 170217992
1-[(1S,2R,3R)-2-fluoro-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
CID 66739562
1-[(2R,4R)-3,3-difluoro-4-hydroxy-5,5-bis(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 126723732
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 510970
1-[3,3-difluoro-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 123360524
1-[(2S,5S)-4,4-difluoro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 509512
1-[(3R,4S,5S)-3,5-difluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118233305
1-[(3aS,4R,6R,6aS)-4-fluoro-4-(iodomethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxol-6-yl]pyrimidine-2,4-dione
CID 160933970
1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 25050618
1-[3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 14578322

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione (CID 153342155) is 1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione is O=c1ccn([C@@H]2C[C@](F)(CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.
What is the InChIKey of 1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione?
The InChIKey is MRUFBEHAKAQUNV-CERHOOOWSA-N. The full InChI is InChI=1S/C10H13FN2O5/c11-10(4-14)3-5(7(16)8(10)17)13-2-1-6(15)12-9(13)18/h1-2,5,7-8,14,16-17H,3-4H2,(H,12,15,18)/t5-,7+,8+,10+/m1/s1.
What are the key properties of 1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione?
1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione has a molecular weight of 260.22 g/mol, XLogP of -2.10, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S,3S,4S)-4-fluoro-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]pyrimidine-2,4-dione is sourced from PubChem (CID 153342155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).