5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione

C11H15FN2O4 — CID 162705739

IUPAC5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)[C@@H]1C(C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O
InChIInChI=1S/C11H15FN2O4/c1-5(2)9-7(15)3-8(18-9)14-4-6(12)10(16)13-11(14)17/h4-5,7-9,15H,3H2,1-2H3,(H,13,16,17)/t7?,8-,9-/m1/s1
InChIKeyFPDGQLPYFHFNFQ-CFCGPWAMSA-N
MW258.25 g/mol
LogP0.30
Rot. Bonds2

About 5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione

5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione (PubChem CID 162705739) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is 5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione
PubChem CID162705739
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Name5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione
SMILESCC(C)[C@@H]1C(C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O
InChIInChI=1S/C11H15FN2O4/c1-5(2)9-7(15)3-8(18-9)14-4-6(12)10(16)13-11(14)17/h4-5,7-9,15H,3H2,1-2H3,(H,13,16,17)/t7?,8-,9-/m1/s1
InChIKeyFPDGQLPYFHFNFQ-CFCGPWAMSA-N
XLogP0.30
TPSA78.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity410

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione with MolForge

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Related Compounds

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CID 5790
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5-Fluoro-2'-deoxyuridine
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(2'R)-2'-Deoxy-2'-fluoro-2'-methyluridine
CID 11311503
Fmau
CID 72327
2',5-Difluoro-2'-deoxy-1-arabinosyluracil
CID 5271378
5'-Deoxy-5'-fluorothymidine
CID 97675
5'-Deoxythymidine
CID 65120
2',5'-Dideoxyuridine
CID 444320
1-[(2S,3S,4R,5S)-3,4-Dihydroxy-5-methyltetrahydrofuran-2-YL]-5-fluoropyrimidine-2,4(1H,3H)-dione
CID 12798016
5-fluoro-1-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]pyrimidine-2,4-dione
CID 13071731

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione (CID 162705739) is 5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione is CC(C)[C@@H]1C(C[C@@H](O1)N2C=C(C(=O)NC2=O)F)O.
What is the InChIKey of 5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione?
The InChIKey is FPDGQLPYFHFNFQ-CFCGPWAMSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-5(2)9-7(15)3-8(18-9)14-4-6(12)10(16)13-11(14)17/h4-5,7-9,15H,3H2,1-2H3,(H,13,16,17)/t7?,8-,9-/m1/s1.
What are the key properties of 5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione?
5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione has a molecular weight of 258.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(2R,5R)-4-hydroxy-5-propan-2-yloxolan-2-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 162705739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).