4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine

C13H18ClIN2O — CID 113390284

IUPAC4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine
SMILESCCOC(C)c1nc(Cl)c(I)c(C2CCCC2)n1
InChIInChI=1S/C13H18ClIN2O/c1-3-18-8(2)13-16-11(9-6-4-5-7-9)10(15)12(14)17-13/h8-9H,3-7H2,1-2H3
InChIKeyWKFLQKRYXWPLCT-UHFFFAOYSA-N
MW380.66 g/mol
LogP4.49
Rot. Bonds4

About 4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine

4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine (PubChem CID 113390284) has the molecular formula C13H18ClIN2O and a molecular weight of 380.66 g/mol. Its IUPAC name is 4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine
PubChem CID113390284
Molecular FormulaC13H18ClIN2O
Molecular Weight380.66 g/mol
Exact Mass380.02
IUPAC Name4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine
SMILESCCOC(C)c1nc(Cl)c(I)c(C2CCCC2)n1
InChIInChI=1S/C13H18ClIN2O/c1-3-18-8(2)13-16-11(9-6-4-5-7-9)10(15)12(14)17-13/h8-9H,3-7H2,1-2H3
InChIKeyWKFLQKRYXWPLCT-UHFFFAOYSA-N
XLogP4.49
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.66
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(1-ethoxyethyl)-5-iodo-6-propylpyrimidine
CID 66292140
6-cyclopentyl-2-(1-ethoxy-2-methylpropyl)-5-iodopyrimidin-4-amine
CID 116730162
4,6-dichloro-2-(1-ethoxyethyl)-5-ethylpyrimidine
CID 64539437
4,6-dichloro-5-cyclopentyl-2-(1-ethoxy-2-methylpropyl)pyrimidine
CID 116706723
6-cyclopropyl-5-iodo-2-(1-methoxyethyl)pyrimidin-4-amine
CID 79617345
6-cyclopentyl-N-ethyl-5-iodo-2-(1-methoxypropan-2-yl)pyrimidin-4-amine
CID 116503076
4-chloro-2-[cyclopropyl(ethoxy)methyl]-5-iodo-6-propylpyrimidine
CID 116706453
2-(1-ethoxyethyl)-5-iodo-6-methylpyrimidin-4-amine
CID 66306102
4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine
CID 113390292
6-cyclopentyl-5-iodo-2-(1-methoxypropan-2-yl)-N-propylpyrimidin-4-amine
CID 116503075
4-chloro-6-cyclopropyl-2-(4-ethoxyoxan-4-yl)-5-iodopyrimidine
CID 116746348
4-chloro-6-cyclopentyl-5-iodo-2-(thiolan-2-yl)pyrimidine
CID 113390294

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine?
The IUPAC name of 4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine (CID 113390284) is 4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine?
The canonical SMILES for 4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine is CCOC(C)c1nc(Cl)c(I)c(C2CCCC2)n1.
What is the InChIKey of 4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine?
The InChIKey is WKFLQKRYXWPLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClIN2O/c1-3-18-8(2)13-16-11(9-6-4-5-7-9)10(15)12(14)17-13/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine?
4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine has a molecular weight of 380.66 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopentyl-2-(1-ethoxyethyl)-5-iodopyrimidine is sourced from PubChem (CID 113390284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).