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

C8H11IN2O5 — CID 16729174

IUPAC1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COC(CO)CO)cc1I
InChIInChI=1S/C8H11IN2O5/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)
InChIKeyHIEVFJRWVCVOHR-UHFFFAOYSA-N
MW342.09 g/mol
LogP-1.53
Rot. Bonds5

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

1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione (PubChem CID 16729174) has the molecular formula C8H11IN2O5 and a molecular weight of 342.09 g/mol. Its IUPAC name is 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione
PubChem CID16729174
Molecular FormulaC8H11IN2O5
Molecular Weight342.09 g/mol
Exact Mass341.97
IUPAC Name1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(COC(CO)CO)cc1I
InChIInChI=1S/C8H11IN2O5/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)
InChIKeyHIEVFJRWVCVOHR-UHFFFAOYSA-N
XLogP-1.53
TPSA104.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.09
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione?
The IUPAC name of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione (CID 16729174) is 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione?
The canonical SMILES for 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione is O=c1[nH]c(=O)n(COC(CO)CO)cc1I.
What is the InChIKey of 1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione?
The InChIKey is HIEVFJRWVCVOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11IN2O5/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-iodopyrimidine-2,4-dione?
1-(1,3-dihydroxypropan-2-yloxymethyl)-5-iodopyrimidine-2,4-dione has a molecular weight of 342.09 g/mol, XLogP of -1.53, 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-iodopyrimidine-2,4-dione is sourced from PubChem (CID 16729174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).