2-(furan-2-ylmethoxy)-5-iodopyrimidine

C9H7IN2O2 — CID 116649117

IUPAC2-(furan-2-ylmethoxy)-5-iodopyrimidine
SMILESIc1cnc(OCc2ccco2)nc1
InChIInChI=1S/C9H7IN2O2/c10-7-4-11-9(12-5-7)14-6-8-2-1-3-13-8/h1-5H,6H2
InChIKeyQUTLOTYSAVVFLU-UHFFFAOYSA-N
MW302.07 g/mol
LogP2.25
Rot. Bonds3

About 2-(furan-2-ylmethoxy)-5-iodopyrimidine

2-(furan-2-ylmethoxy)-5-iodopyrimidine (PubChem CID 116649117) has the molecular formula C9H7IN2O2 and a molecular weight of 302.07 g/mol. Its IUPAC name is 2-(furan-2-ylmethoxy)-5-iodopyrimidine.

Molecular Properties

Compound Name2-(furan-2-ylmethoxy)-5-iodopyrimidine
PubChem CID116649117
Molecular FormulaC9H7IN2O2
Molecular Weight302.07 g/mol
Exact Mass301.96
IUPAC Name2-(furan-2-ylmethoxy)-5-iodopyrimidine
SMILESIc1cnc(OCc2ccco2)nc1
InChIInChI=1S/C9H7IN2O2/c10-7-4-11-9(12-5-7)14-6-8-2-1-3-13-8/h1-5H,6H2
InChIKeyQUTLOTYSAVVFLU-UHFFFAOYSA-N
XLogP2.25
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.07
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(furan-2-ylmethoxy)-5-iodopyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(furan-2-ylmethoxy)pyrimidine
CID 125483373
2-[(4-iodophenoxy)methyl]furan
CID 60772612
[2-(furan-2-ylmethoxy)-4-methylpyrimidin-5-yl]methanol
CID 83184642
2-(furan-2-ylmethoxy)pyrazine
CID 54022302
N-[1-(furan-2-yl)propan-2-yl]-5-iodopyrimidin-2-amine
CID 104840074
4-ethoxy-6-(furan-2-ylmethoxy)-1,3,5-triazin-2-amine
CID 80859367
furan-2-ylmethoxysilane
CID 130768813
2-(furan-2-ylmethoxy)pyrimidine-4-carboxylic acid
CID 107554648
4-(furan-2-ylmethoxy)-1-methylpyrazole
CID 116794087
2-(furan-3-yloxymethyl)furan
CID 54008523
5-bromo-2-(furan-2-ylmethoxy)pyridin-3-amine
CID 61227703
6-(furan-2-ylmethoxy)pyridine-2-carbonitrile
CID 64594356

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethoxy)-5-iodopyrimidine?
The IUPAC name of 2-(furan-2-ylmethoxy)-5-iodopyrimidine (CID 116649117) is 2-(furan-2-ylmethoxy)-5-iodopyrimidine.
What is the SMILES notation for 2-(furan-2-ylmethoxy)-5-iodopyrimidine?
The canonical SMILES for 2-(furan-2-ylmethoxy)-5-iodopyrimidine is Ic1cnc(OCc2ccco2)nc1.
What is the InChIKey of 2-(furan-2-ylmethoxy)-5-iodopyrimidine?
The InChIKey is QUTLOTYSAVVFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN2O2/c10-7-4-11-9(12-5-7)14-6-8-2-1-3-13-8/h1-5H,6H2.
What are the key properties of 2-(furan-2-ylmethoxy)-5-iodopyrimidine?
2-(furan-2-ylmethoxy)-5-iodopyrimidine has a molecular weight of 302.07 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethoxy)-5-iodopyrimidine is sourced from PubChem (CID 116649117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).