5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione

C5H5FN2O3 — CID 45090719

IUPAC5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1CO
InChIInChI=1S/C5H5FN2O3/c6-3-1-7-5(11)8(2-9)4(3)10/h1,9H,2H2,(H,7,11)
InChIKeySZHADWNPRCGOHA-UHFFFAOYSA-N
MW160.10 g/mol
LogP-1.37
Rot. Bonds1

About 5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione

5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione (PubChem CID 45090719) has the molecular formula C5H5FN2O3 and a molecular weight of 160.10 g/mol. Its IUPAC name is 5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione
PubChem CID45090719
Molecular FormulaC5H5FN2O3
Molecular Weight160.10 g/mol
Exact Mass160.03
IUPAC Name5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione
SMILESO=c1[nH]cc(F)c(=O)n1CO
InChIInChI=1S/C5H5FN2O3/c6-3-1-7-5(11)8(2-9)4(3)10/h1,9H,2H2,(H,7,11)
InChIKeySZHADWNPRCGOHA-UHFFFAOYSA-N
XLogP-1.37
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.10
LogP ≤ 5-1.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluorouracil
CID 3385
5-Fluoro-1-((2-hydroxyethoxy)methyl)uracil
CID 72359
5-Fluoro-1-methyl-2,4(1H,3H)-pyrimidinedione
CID 78957
5-Fluoro-1-(prop-2-yn-1-yl)pyrimidine-2,4(1h,3h)-dione
CID 489887
1-Acetyl-5-fluoro-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 277733
1-(3-Hydroxypropyl)-5-fluorouracil
CID 327429
5-Fluoro-3-methylpyrimidine-2,4(1H,3H)-dione
CID 330104
1-Allyl-5-fluorouracil
CID 342611
AC1Nrld4
CID 5242907
5-Fluorouracil-15N2
CID 16213520
N(1)-(2-formylethyl)-5-fluorouracil
CID 92003
3-Acetyl-5-fluorouracil
CID 126516

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione (CID 45090719) is 5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione is O=c1[nH]cc(F)c(=O)n1CO.
What is the InChIKey of 5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is SZHADWNPRCGOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O3/c6-3-1-7-5(11)8(2-9)4(3)10/h1,9H,2H2,(H,7,11).
What are the key properties of 5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione?
5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 160.10 g/mol, XLogP of -1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(hydroxymethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 45090719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).