1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione

C16H16F2N2O5 — CID 10316090

IUPAC1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H16F2N2O5/c17-10-3-1-9(2-4-10)7-20-12(22)5-6-19(16(20)24)15-13(18)14(23)11(8-21)25-15/h1-6,11,13-15,21,23H,7-8H2/t11-,13-,14-,15-/m1/s1
InChIKeyPRRPJYUPALOGOB-NMFUWQPSSA-N
MW354.31 g/mol
LogP-0.21
Rot. Bonds4

About 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione

1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 10316090) has the molecular formula C16H16F2N2O5 and a molecular weight of 354.31 g/mol. Its IUPAC name is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
PubChem CID10316090
Molecular FormulaC16H16F2N2O5
Molecular Weight354.31 g/mol
Exact Mass354.10
IUPAC Name1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C16H16F2N2O5/c17-10-3-1-9(2-4-10)7-20-12(22)5-6-19(16(20)24)15-13(18)14(23)11(8-21)25-15/h1-6,11,13-15,21,23H,7-8H2/t11-,13-,14-,15-/m1/s1
InChIKeyPRRPJYUPALOGOB-NMFUWQPSSA-N
XLogP-0.21
TPSA93.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.31
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(4-chlorophenyl)methyl]-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 46875366
3-benzyl-1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 46875386
1-[(3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(3-methylphenyl)methyl]pyrimidine-2,4-dione
CID 46875385
1-[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(6-fluoro-1,2-benzoxazol-3-yl)methyl]pyrimidine-2,4-dione
CID 154473353
3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R,3S,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 147585506
3-[2-(2,4-difluorophenyl)-2-oxoethyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 101004310
3-[2-(2,4-difluorophenyl)ethyl]-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 86288214
1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 3007908
1-[(2R,3R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 118944111
1-[(2R,3S,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(2-methylphenyl)methyl]pyrimidine-2,4-dione
CID 10337796
CID 176801475
CID 176801475
1-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-sulfanylidenepyrimidin-2-one
CID 171314789

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione (CID 10316090) is 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2F)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is PRRPJYUPALOGOB-NMFUWQPSSA-N. The full InChI is InChI=1S/C16H16F2N2O5/c17-10-3-1-9(2-4-10)7-20-12(22)5-6-19(16(20)24)15-13(18)14(23)11(8-21)25-15/h1-6,11,13-15,21,23H,7-8H2/t11-,13-,14-,15-/m1/s1.
What are the key properties of 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione?
1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 354.31 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 10316090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).