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

C9H11IN2O2 — CID 106203666

IUPAC4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CC2)c1I
InChIInChI=1S/C9H11IN2O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyGICBDBMPXIUCES-UHFFFAOYSA-N
MW306.10 g/mol
LogP1.55
Rot. Bonds4

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

4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one (PubChem CID 106203666) has the molecular formula C9H11IN2O2 and a molecular weight of 306.10 g/mol. Its IUPAC name is 4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one
PubChem CID106203666
Molecular FormulaC9H11IN2O2
Molecular Weight306.10 g/mol
Exact Mass305.99
IUPAC Name4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCC2CC2)c1I
InChIInChI=1S/C9H11IN2O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H,11,12,13)
InChIKeyGICBDBMPXIUCES-UHFFFAOYSA-N
XLogP1.55
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.10
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one 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

5-iodo-4-pentan-2-yloxy-1H-pyrimidin-6-one
CID 102983147
5-iodo-4-(2-methylpentoxy)-1H-pyrimidin-6-one
CID 103284599
5-chloro-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106203656
5-bromo-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106203664
4-(2-cyclobutylethoxy)-5-iodo-1H-pyrimidin-6-one
CID 106203691
5-amino-4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106207963
4-(2-cyclopropylethoxy)-1H-pyrimidin-6-one
CID 106207968
5-iodo-4-(3-methoxy-3-methylbutoxy)-1H-pyrimidin-6-one
CID 106666431
4-hexoxy-5-iodo-1H-pyrimidin-6-one
CID 114675878
4-cyclopentyloxy-5-iodo-1H-pyrimidin-6-one
CID 114675902
5-iodo-4-(2-methylpropoxy)-1H-pyrimidin-6-one
CID 114676086
5-iodo-4-(3-methylbutoxy)-1H-pyrimidin-6-one
CID 114676092

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one (CID 106203666) is 4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCC2CC2)c1I.
What is the InChIKey of 4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is GICBDBMPXIUCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11IN2O2/c10-7-8(13)11-5-12-9(7)14-4-3-6-1-2-6/h5-6H,1-4H2,(H,11,12,13).
What are the key properties of 4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one?
4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 306.10 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylethoxy)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 106203666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).