4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol

C15H14ClIN2O — CID 136730066

IUPAC4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol
SMILESOc1ccc(-c2nc(Cl)c(I)c(C3CCCC3)n2)cc1
InChIInChI=1S/C15H14ClIN2O/c16-14-12(17)13(9-3-1-2-4-9)18-15(19-14)10-5-7-11(20)8-6-10/h5-9,20H,1-4H2
InChIKeyDOJGZOQCLACECU-UHFFFAOYSA-N
MW400.65 g/mol
LogP4.76
Rot. Bonds2

About 4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol

4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol (PubChem CID 136730066) has the molecular formula C15H14ClIN2O and a molecular weight of 400.65 g/mol. Its IUPAC name is 4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol.

Molecular Properties

Compound Name4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol
PubChem CID136730066
Molecular FormulaC15H14ClIN2O
Molecular Weight400.65 g/mol
Exact Mass399.98
IUPAC Name4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol
SMILESOc1ccc(-c2nc(Cl)c(I)c(C3CCCC3)n2)cc1
InChIInChI=1S/C15H14ClIN2O/c16-14-12(17)13(9-3-1-2-4-9)18-15(19-14)10-5-7-11(20)8-6-10/h5-9,20H,1-4H2
InChIKeyDOJGZOQCLACECU-UHFFFAOYSA-N
XLogP4.76
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.65
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol 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

4-(5-bromo-4-chloro-6-cyclopentylpyrimidin-2-yl)phenol
CID 136730068
4-chloro-6-cyclopentyl-5-iodo-2-pyrimidin-2-ylpyrimidine
CID 113390292
4-chloro-6-cyclopropyl-5-iodo-2-thiophen-3-ylpyrimidine
CID 66293487
4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine
CID 103443032
4-chloro-6-cyclopropyl-5-iodo-2-[3-(methoxymethyl)phenyl]pyrimidine
CID 66312889
4-chloro-6-cyclopropyl-5-iodo-2-(2-methylphenyl)pyrimidine
CID 66292684
4-chloro-6-cyclopropyl-5-iodo-2-pyridin-2-ylpyrimidine
CID 66292880
4-chloro-6-cyclopropyl-5-iodo-2-(1-methylpyrazol-3-yl)pyrimidine
CID 66293293
8-(4-chloro-6-cyclopropyl-5-iodopyrimidin-2-yl)quinoline
CID 66312890
2-(7-bromo-1,3-benzodioxol-5-yl)-4-chloro-6-cyclopropyl-5-iodopyrimidine
CID 66313664
4,6-dichloro-5-cyclopentyl-2-(4-ethylphenyl)pyrimidine
CID 115926474
6-cyclopropyl-2-(4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 66302764

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol?
The IUPAC name of 4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol (CID 136730066) is 4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol.
What is the SMILES notation for 4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol?
The canonical SMILES for 4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol is Oc1ccc(-c2nc(Cl)c(I)c(C3CCCC3)n2)cc1.
What is the InChIKey of 4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol?
The InChIKey is DOJGZOQCLACECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2O/c16-14-12(17)13(9-3-1-2-4-9)18-15(19-14)10-5-7-11(20)8-6-10/h5-9,20H,1-4H2.
What are the key properties of 4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol?
4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol has a molecular weight of 400.65 g/mol, XLogP of 4.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-cyclopentyl-5-iodopyrimidin-2-yl)phenol is sourced from PubChem (CID 136730066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).