1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione

C12H15IN2O2 — CID 79785172

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CC3CCC2C3)cc1I
InChIInChI=1S/C12H15IN2O2/c13-10-6-15(12(17)14-11(10)16)5-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,14,16,17)
InChIKeyFARWMLVGZXOLBE-UHFFFAOYSA-N
MW346.17 g/mol
LogP1.58
Rot. Bonds2

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione

1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione (PubChem CID 79785172) has the molecular formula C12H15IN2O2 and a molecular weight of 346.17 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione
PubChem CID79785172
Molecular FormulaC12H15IN2O2
Molecular Weight346.17 g/mol
Exact Mass346.02
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CC2CC3CCC2C3)cc1I
InChIInChI=1S/C12H15IN2O2/c13-10-6-15(12(17)14-11(10)16)5-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,14,16,17)
InChIKeyFARWMLVGZXOLBE-UHFFFAOYSA-N
XLogP1.58
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.17
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bicyclo[2.2.1]heptanylmethyl)pyrimidin-2-one
CID 116618396
1-[[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]methyl]pyrrolidine-2,5-dione
CID 98186318
[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]methanamine
CID 79557924
1-[2-hydroxy-4,5-bis(hydroxymethyl)cyclohexyl]-5-iodopyrimidine-2,4-dione
CID 18950462
1-(2-bicyclo[2.2.1]heptanylmethyl)pyrazol-4-ol
CID 116799471
1-(2-bicyclo[2.2.1]heptanylmethyl)-1,3-diazinane-2,4,6-trione
CID 112598016
1-[1-(2-bicyclo[2.2.1]heptanylmethyl)pyrrol-2-yl]ethanamine
CID 79558298
1-[(3-bromo-4-fluorophenyl)methyl]-5-iodopyrimidine-2,4-dione
CID 79785357
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-(chloromethyl)pyrazole
CID 79550055
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methylpyrazol-3-amine
CID 79552476
1-(2-bicyclo[2.2.1]heptanylmethyl)-3-iodo-5-methylpyrazole
CID 130496682
3-(2-bicyclo[2.2.1]heptanylmethyl)thieno[3,2-d]pyrimidin-4-one
CID 116620765

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione (CID 79785172) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione is O=c1[nH]c(=O)n(CC2CC3CCC2C3)cc1I.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione?
The InChIKey is FARWMLVGZXOLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15IN2O2/c13-10-6-15(12(17)14-11(10)16)5-9-4-7-1-2-8(9)3-7/h6-9H,1-5H2,(H,14,16,17).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione?
1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione has a molecular weight of 346.17 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-5-iodopyrimidine-2,4-dione is sourced from PubChem (CID 79785172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).