1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione

C7H9FN2O4 — CID 10726860

IUPAC1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C(CO)CO)cc1F
InChIInChI=1S/C7H9FN2O4/c8-5-1-10(4(2-11)3-12)7(14)9-6(5)13/h1,4,11-12H,2-3H2,(H,9,13,14)
InChIKeyJGSWLTVUCAMMID-UHFFFAOYSA-N
MW204.16 g/mol
LogP-1.80
Rot. Bonds3

About 1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione

1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione (PubChem CID 10726860) has the molecular formula C7H9FN2O4 and a molecular weight of 204.16 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione
PubChem CID10726860
Molecular FormulaC7H9FN2O4
Molecular Weight204.16 g/mol
Exact Mass204.05
IUPAC Name1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(C(CO)CO)cc1F
InChIInChI=1S/C7H9FN2O4/c8-5-1-10(4(2-11)3-12)7(14)9-6(5)13/h1,4,11-12H,2-3H2,(H,9,13,14)
InChIKeyJGSWLTVUCAMMID-UHFFFAOYSA-N
XLogP-1.80
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.16
LogP ≤ 5-1.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1-[(1R,2R,3R)-1,2,4-trihydroxy-3-methoxybutyl]pyrimidine-2,4-dione
CID 156523096
1-[(1S)-1-ethoxyethyl]-5-fluoropyrimidine-2,4-dione
CID 712428
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione
CID 3010090
5-fluoro-1-[1-[(2-methylpropan-2-yl)oxy]propyl]pyrimidine-2,4-dione
CID 121459566
1-(1-hydroxybutan-2-yl)-2,4-dioxopyrimidine-5-carbonitrile
CID 13398269
5-fluoro-1-[methylsulfanyl(phenyl)methyl]pyrimidine-2,4-dione
CID 70613721
5-fluoro-1-(1-prop-2-enoxypropyl)pyrimidine-2,4-dione
CID 15060444
2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetonitrile
CID 10877537
5-fluoro-1-[2-hydroxyethoxy-(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-dione
CID 15583556
1-[(2S,3R,5S)-4,4-difluoro-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoropyrimidine-2,4-dione
CID 11716120
1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione
CID 3869192
5-fluoro-2,4-dioxopyrimidine-1-carbonyl chloride
CID 14451336

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione (CID 10726860) is 1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(C(CO)CO)cc1F.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is JGSWLTVUCAMMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O4/c8-5-1-10(4(2-11)3-12)7(14)9-6(5)13/h1,4,11-12H,2-3H2,(H,9,13,14).
What are the key properties of 1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione?
1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 204.16 g/mol, XLogP of -1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 10726860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).