1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione

C8H11FN2O5 — CID 70515654

IUPAC1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione
SMILESCOC(O)C(O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O5/c1-16-7(14)5(12)3-11-2-4(9)6(13)10-8(11)15/h2,5,7,12,14H,3H2,1H3,(H,10,13,15)
InChIKeyCZXJONAXNFILEO-UHFFFAOYSA-N
MW234.18 g/mol
LogP-2.00
Rot. Bonds4

About 1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione

1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione (PubChem CID 70515654) has the molecular formula C8H11FN2O5 and a molecular weight of 234.18 g/mol. Its IUPAC name is 1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione
PubChem CID70515654
Molecular FormulaC8H11FN2O5
Molecular Weight234.18 g/mol
Exact Mass234.07
IUPAC Name1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione
SMILESCOC(O)C(O)Cn1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O5/c1-16-7(14)5(12)3-11-2-4(9)6(13)10-8(11)15/h2,5,7,12,14H,3H2,1H3,(H,10,13,15)
InChIKeyCZXJONAXNFILEO-UHFFFAOYSA-N
XLogP-2.00
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione (CID 70515654) is 1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione is COC(O)C(O)Cn1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione?
The InChIKey is CZXJONAXNFILEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O5/c1-16-7(14)5(12)3-11-2-4(9)6(13)10-8(11)15/h2,5,7,12,14H,3H2,1H3,(H,10,13,15).
What are the key properties of 1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione?
1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione has a molecular weight of 234.18 g/mol, XLogP of -2.00, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxy-3-methoxypropyl)-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 70515654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).