1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione

C10H11FN2O3 — CID 5278750

IUPAC1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2C[C@@H](CO)C=C2F)c(=O)[nH]1
InChIInChI=1S/C10H11FN2O3/c11-7-3-6(5-14)4-8(7)13-2-1-9(15)12-10(13)16/h1-3,6,8,14H,4-5H2,(H,12,15,16)/t6-,8-/m0/s1
InChIKeyQXZFEGKVBDMAKS-XPUUQOCRSA-N
MW226.21 g/mol
LogP-0.06
Rot. Bonds2

About 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione

1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione (PubChem CID 5278750) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
PubChem CID5278750
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@H]2C[C@@H](CO)C=C2F)c(=O)[nH]1
InChIInChI=1S/C10H11FN2O3/c11-7-3-6(5-14)4-8(7)13-2-1-9(15)12-10(13)16/h1-3,6,8,14H,4-5H2,(H,12,15,16)/t6-,8-/m0/s1
InChIKeyQXZFEGKVBDMAKS-XPUUQOCRSA-N
XLogP-0.06
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 ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-fluoro-5-(hydroxymethyl)-2,5-dihydrofuran-2-yl]pyrimidine-2,4-dione
CID 14578322
1-[(1S,2R,3R)-2-fluoro-3-(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
CID 66739562
1-[(2R,4S)-4-(hydroxymethyl)oxetan-2-yl]pyrimidine-2,4-dione
CID 57243350
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)(4,5-13C2)oxolan-2-yl]pyrimidine-2,4-dione
CID 11183813
1-[2-fluoro-3,4-bis(hydroxymethyl)cyclobutyl]pyrimidine-2,4-dione
CID 67751450
1-[(2S,4S,5S)-2,5-bis(hydroxymethyl)-1,3-oxathiolan-4-yl]pyrimidine-2,4-dione
CID 15404713
diiminoazanium;1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 174696947
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10612740
1-[(2R,4R,5S)-5-(hydroxymethyl)-4-(trifluoromethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 10989600
1-[3,3-difluoro-5-(hydroxymethyl)-5-methyloxolan-2-yl]pyrimidine-2,4-dione
CID 123360524
1-[4-hydroxy-6-(hydroxymethyl)oxan-2-yl]pyrimidine-2,4-dione
CID 582840
1-[(2R,5R)-4-chloro-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 67928982

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione (CID 5278750) is 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione is O=c1ccn([C@H]2C[C@@H](CO)C=C2F)c(=O)[nH]1.
What is the InChIKey of 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
The InChIKey is QXZFEGKVBDMAKS-XPUUQOCRSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-7-3-6(5-14)4-8(7)13-2-1-9(15)12-10(13)16/h1-3,6,8,14H,4-5H2,(H,12,15,16)/t6-,8-/m0/s1.
What are the key properties of 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione?
1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione has a molecular weight of 226.21 g/mol, XLogP of -0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,4R)-2-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 5278750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).