4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine

C12H16ClIN2O — CID 116746306

IUPAC4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
SMILESCCOC1(c2ncc(I)c(Cl)n2)CCCCC1
InChIInChI=1S/C12H16ClIN2O/c1-2-17-12(6-4-3-5-7-12)11-15-8-9(14)10(13)16-11/h8H,2-7H2,1H3
InChIKeyIMVUNLBGYRVGJL-UHFFFAOYSA-N
MW366.63 g/mol
LogP3.93
Rot. Bonds3

About 4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine

4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine (PubChem CID 116746306) has the molecular formula C12H16ClIN2O and a molecular weight of 366.63 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
PubChem CID116746306
Molecular FormulaC12H16ClIN2O
Molecular Weight366.63 g/mol
Exact Mass366.00
IUPAC Name4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
SMILESCCOC1(c2ncc(I)c(Cl)n2)CCCCC1
InChIInChI=1S/C12H16ClIN2O/c1-2-17-12(6-4-3-5-7-12)11-15-8-9(14)10(13)16-11/h8H,2-7H2,1H3
InChIKeyIMVUNLBGYRVGJL-UHFFFAOYSA-N
XLogP3.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.63
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine 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

4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
CID 116746016
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802
2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid
CID 116775102
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682
2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine
CID 116779217
ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate
CID 116782888
2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
CID 114207193
2-(1-ethoxy-4-methylcyclohexyl)-5-iodo-N-methylpyrimidin-4-amine
CID 116777104
2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydroquinazolin-5-amine
CID 116775313
2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
4-tert-butyl-6-chloro-2-(1-ethoxycycloheptyl)pyrimidine
CID 116745718
5-(bromomethyl)-4-cyclopropyl-2-(1-ethoxycyclopentyl)pyrimidine
CID 114205823

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine (CID 116746306) is 4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine is CCOC1(c2ncc(I)c(Cl)n2)CCCCC1.
What is the InChIKey of 4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine?
The InChIKey is IMVUNLBGYRVGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIN2O/c1-2-17-12(6-4-3-5-7-12)11-15-8-9(14)10(13)16-11/h8H,2-7H2,1H3.
What are the key properties of 4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine?
4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine has a molecular weight of 366.63 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine is sourced from PubChem (CID 116746306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).