1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione

C11H15FN2O5 — CID 102233391

IUPAC1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C[C@@H]2C[C@H](O)[C@@H]2[C@H](O)CO)cc1F
InChIInChI=1S/C11H15FN2O5/c12-6-3-14(11(19)13-10(6)18)2-5-1-7(16)9(5)8(17)4-15/h3,5,7-9,15-17H,1-2,4H2,(H,13,18,19)/t5-,7-,8+,9+/m0/s1
InChIKeyUEXBOFACZWZYFJ-URJBTRRKSA-N
MW274.25 g/mol
LogP-1.97
Rot. Bonds4

About 1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione

1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 102233391) has the molecular formula C11H15FN2O5 and a molecular weight of 274.25 g/mol. Its IUPAC name is 1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione
PubChem CID102233391
Molecular FormulaC11H15FN2O5
Molecular Weight274.25 g/mol
Exact Mass274.10
IUPAC Name1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C[C@@H]2C[C@H](O)[C@@H]2[C@H](O)CO)cc1F
InChIInChI=1S/C11H15FN2O5/c12-6-3-14(11(19)13-10(6)18)2-5-1-7(16)9(5)8(17)4-15/h3,5,7-9,15-17H,1-2,4H2,(H,13,18,19)/t5-,7-,8+,9+/m0/s1
InChIKeyUEXBOFACZWZYFJ-URJBTRRKSA-N
XLogP-1.97
TPSA115.55 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 5-1.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione (CID 102233391) is 1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(C[C@@H]2C[C@H](O)[C@@H]2[C@H](O)CO)cc1F.
What is the InChIKey of 1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is UEXBOFACZWZYFJ-URJBTRRKSA-N. The full InChI is InChI=1S/C11H15FN2O5/c12-6-3-14(11(19)13-10(6)18)2-5-1-7(16)9(5)8(17)4-15/h3,5,7-9,15-17H,1-2,4H2,(H,13,18,19)/t5-,7-,8+,9+/m0/s1.
What are the key properties of 1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione?
1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 274.25 g/mol, XLogP of -1.97, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(1R,2R,3S)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxycyclobutyl]methyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 102233391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).