4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine

C9H13IN2O2 — CID 103489535

IUPAC4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine
SMILESCCOCC(C)Oc1ncncc1I
InChIInChI=1S/C9H13IN2O2/c1-3-13-5-7(2)14-9-8(10)4-11-6-12-9/h4,6-7H,3,5H2,1-2H3
InChIKeyLNMKJWDBHXNMNK-UHFFFAOYSA-N
MW308.12 g/mol
LogP1.88
Rot. Bonds5

About 4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine

4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine (PubChem CID 103489535) has the molecular formula C9H13IN2O2 and a molecular weight of 308.12 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine
PubChem CID103489535
Molecular FormulaC9H13IN2O2
Molecular Weight308.12 g/mol
Exact Mass308.00
IUPAC Name4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine
SMILESCCOCC(C)Oc1ncncc1I
InChIInChI=1S/C9H13IN2O2/c1-3-13-5-7(2)14-9-8(10)4-11-6-12-9/h4,6-7H,3,5H2,1-2H3
InChIKeyLNMKJWDBHXNMNK-UHFFFAOYSA-N
XLogP1.88
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine (CID 103489535) is 4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine is CCOCC(C)Oc1ncncc1I.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine?
The InChIKey is LNMKJWDBHXNMNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13IN2O2/c1-3-13-5-7(2)14-9-8(10)4-11-6-12-9/h4,6-7H,3,5H2,1-2H3.
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine?
4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine has a molecular weight of 308.12 g/mol, XLogP of 1.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-5-iodopyrimidine is sourced from PubChem (CID 103489535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).