4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine

C10H12ClIN2O — CID 66292282

IUPAC4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine
SMILESCCOCc1nc(Cl)c(I)c(C2CC2)n1
InChIInChI=1S/C10H12ClIN2O/c1-2-15-5-7-13-9(6-3-4-6)8(12)10(11)14-7/h6H,2-5H2,1H3
InChIKeyZAAWRAUFXBBCQR-UHFFFAOYSA-N
MW338.58 g/mol
LogP3.15
Rot. Bonds4

About 4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine

4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine (PubChem CID 66292282) has the molecular formula C10H12ClIN2O and a molecular weight of 338.58 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine
PubChem CID66292282
Molecular FormulaC10H12ClIN2O
Molecular Weight338.58 g/mol
Exact Mass337.97
IUPAC Name4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine
SMILESCCOCc1nc(Cl)c(I)c(C2CC2)n1
InChIInChI=1S/C10H12ClIN2O/c1-2-15-5-7-13-9(6-3-4-6)8(12)10(11)14-7/h6H,2-5H2,1H3
InChIKeyZAAWRAUFXBBCQR-UHFFFAOYSA-N
XLogP3.15
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine (CID 66292282) is 4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine is CCOCc1nc(Cl)c(I)c(C2CC2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine?
The InChIKey is ZAAWRAUFXBBCQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN2O/c1-2-15-5-7-13-9(6-3-4-6)8(12)10(11)14-7/h6H,2-5H2,1H3.
What are the key properties of 4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine?
4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine has a molecular weight of 338.58 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-(ethoxymethyl)-5-iodopyrimidine is sourced from PubChem (CID 66292282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).