1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione

C19H19F2N5O5 — CID 72709990

IUPAC1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESCC1OC(n2cc(F)c(=O)n(Cc3cn(Cc4ccc(F)cc4)nn3)c2=O)C(O)C1O
InChIInChI=1S/C19H19F2N5O5/c1-10-15(27)16(28)18(31-10)26-9-14(21)17(29)25(19(26)30)8-13-7-24(23-22-13)6-11-2-4-12(20)5-3-11/h2-5,7,9-10,15-16,18,27-28H,6,8H2,1H3
InChIKeyZENFTYLFIGSFRF-UHFFFAOYSA-N
MW435.39 g/mol
LogP-0.38
Rot. Bonds5

About 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione

1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione (PubChem CID 72709990) has the molecular formula C19H19F2N5O5 and a molecular weight of 435.39 g/mol. Its IUPAC name is 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione
PubChem CID72709990
Molecular FormulaC19H19F2N5O5
Molecular Weight435.39 g/mol
Exact Mass435.14
IUPAC Name1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione
SMILESCC1OC(n2cc(F)c(=O)n(Cc3cn(Cc4ccc(F)cc4)nn3)c2=O)C(O)C1O
InChIInChI=1S/C19H19F2N5O5/c1-10-15(27)16(28)18(31-10)26-9-14(21)17(29)25(19(26)30)8-13-7-24(23-22-13)6-11-2-4-12(20)5-3-11/h2-5,7,9-10,15-16,18,27-28H,6,8H2,1H3
InChIKeyZENFTYLFIGSFRF-UHFFFAOYSA-N
XLogP-0.38
TPSA124.40 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.39
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione?
The IUPAC name of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione (CID 72709990) is 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione?
The canonical SMILES for 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione is CC1OC(n2cc(F)c(=O)n(Cc3cn(Cc4ccc(F)cc4)nn3)c2=O)C(O)C1O.
What is the InChIKey of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione?
The InChIKey is ZENFTYLFIGSFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5O5/c1-10-15(27)16(28)18(31-10)26-9-14(21)17(29)25(19(26)30)8-13-7-24(23-22-13)6-11-2-4-12(20)5-3-11/h2-5,7,9-10,15-16,18,27-28H,6,8H2,1H3.
What are the key properties of 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione?
1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione has a molecular weight of 435.39 g/mol, XLogP of -0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydroxy-5-methyloxolan-2-yl)-5-fluoro-3-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 72709990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).