5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one

C10H9IN2O2S — CID 114676343

IUPAC5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCc2cccs2)c1I
InChIInChI=1S/C10H9IN2O2S/c11-8-9(14)12-6-13-10(8)15-4-3-7-2-1-5-16-7/h1-2,5-6H,3-4H2,(H,12,13,14)
InChIKeyDKUUNOVYJFDOKW-UHFFFAOYSA-N
MW348.17 g/mol
LogP2.06
Rot. Bonds4

About 5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one

5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114676343) has the molecular formula C10H9IN2O2S and a molecular weight of 348.17 g/mol. Its IUPAC name is 5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114676343
Molecular FormulaC10H9IN2O2S
Molecular Weight348.17 g/mol
Exact Mass347.94
IUPAC Name5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCc2cccs2)c1I
InChIInChI=1S/C10H9IN2O2S/c11-8-9(14)12-6-13-10(8)15-4-3-7-2-1-5-16-7/h1-2,5-6H,3-4H2,(H,12,13,14)
InChIKeyDKUUNOVYJFDOKW-UHFFFAOYSA-N
XLogP2.06
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.17
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1H-pyrimidin-6-one
CID 136971411
2-[2-(4-iodophenoxy)ethyl]thiophene
CID 63775309
4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973753
[5-bromo-2-(2-thiophen-2-ylethoxy)-3-pyridinyl]methanamine
CID 62322458
4-(2-thiophen-2-ylethoxy)pyrimidin-5-amine
CID 79916541
2-thiophen-2-ylethoxysilane
CID 154346669
6-methyl-2-(2-thiophen-2-ylethoxy)pyridine-3-carboxylic acid
CID 62702609
3-bromo-5-methyl-2-(2-thiophen-2-ylethoxy)pyridine
CID 105368298
2-thiophen-2-ylethyl sulfite
CID 175017733
5-bromo-3-nitro-2-(2-thiophen-2-ylethoxy)pyridine
CID 54966722
4-(2-thiophen-2-ylethoxy)quinazolin-2-amine
CID 80872836
2-thiophen-2-ylethyl nitrate
CID 54344199

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one (CID 114676343) is 5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCc2cccs2)c1I.
What is the InChIKey of 5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is DKUUNOVYJFDOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9IN2O2S/c11-8-9(14)12-6-13-10(8)15-4-3-7-2-1-5-16-7/h1-2,5-6H,3-4H2,(H,12,13,14).
What are the key properties of 5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one?
5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 348.17 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).