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

C8H11FN2O5 — CID 3010090

IUPAC1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COC(CO)CO)cc1F
InChIInChI=1S/C8H11FN2O5/c9-6-1-11(8(15)10-7(6)14)4-16-5(2-12)3-13/h1,5,12-13H,2-4H2,(H,10,14,15)
InChIKeyKPMLGIYWYCZVPK-UHFFFAOYSA-N
MW234.18 g/mol
LogP-2.00
Rot. Bonds5

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

1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 3010090) has the molecular formula C8H11FN2O5 and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione
PubChem CID3010090
Molecular FormulaC8H11FN2O5
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COC(CO)CO)cc1F
InChIInChI=1S/C8H11FN2O5/c9-6-1-11(8(15)10-7(6)14)4-16-5(2-12)3-13/h1,5,12-13H,2-4H2,(H,10,14,15)
InChIKeyKPMLGIYWYCZVPK-UHFFFAOYSA-N
XLogP-2.00
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.18
LogP ≤ 5-2.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetonitrile
CID 10877537
1-(1,3-dihydroxypropan-2-yl)-5-fluoropyrimidine-2,4-dione
CID 10726860
1-(3-chloro-2-hydroxypropyl)-5-fluoropyrimidine-2,4-dione
CID 3869192
5-[(E)-but-1-en-3-ynyl]-1-[[(2S)-1-hydroxybutan-2-yl]oxymethyl]pyrimidine-2,4-dione
CID 89011003
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl prop-1-en-2-yl carbonate
CID 10377149
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl 6-aminohexanoate
CID 15172520
1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione
CID 70515654
5-fluoro-1-(2-methylsulfanylethoxymethyl)pyrimidine-2,4-dione
CID 13076168
1-(3,3-diethoxypropyl)-5-fluoropyrimidine-2,4-dione
CID 63629471
methyl 2-(5-fluoro-2,4-dioxopyrimidin-1-yl)acetate
CID 637881
1-[[1,2-bis(hydroxymethyl)cyclopropyl]methyl]-5-fluoropyrimidine-2,4-dione
CID 18984558
(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl N-propylcarbamate
CID 121461121

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione (CID 3010090) is 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione is O=c1[nH]c(=O)n(COC(CO)CO)cc1F.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is KPMLGIYWYCZVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O5/c9-6-1-11(8(15)10-7(6)14)4-16-5(2-12)3-13/h1,5,12-13H,2-4H2,(H,10,14,15).
What are the key properties of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione?
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 234.18 g/mol, XLogP of -2.00, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 3010090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).