4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde

C6H4ClIN2OS — CID 11951695

IUPAC4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde
SMILESCSc1nc(Cl)c(C=O)c(I)n1
InChIInChI=1S/C6H4ClIN2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3
InChIKeyOSBVAELPEIGPRV-UHFFFAOYSA-N
MW314.54 g/mol
LogP2.27
Rot. Bonds2

About 4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde

4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde (PubChem CID 11951695) has the molecular formula C6H4ClIN2OS and a molecular weight of 314.54 g/mol. Its IUPAC name is 4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde
PubChem CID11951695
Molecular FormulaC6H4ClIN2OS
Molecular Weight314.54 g/mol
Exact Mass313.88
IUPAC Name4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde
SMILESCSc1nc(Cl)c(C=O)c(I)n1
InChIInChI=1S/C6H4ClIN2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3
InChIKeyOSBVAELPEIGPRV-UHFFFAOYSA-N
XLogP2.27
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.54
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde 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

2-Amino-4,6-dichloropyrimidine-5-carboxaldehyde
CID 265546
2,4,6-Trichloro-5-pyrimidinecarboxaldehyde
CID 10932746
4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carbaldehyde
CID 4614004
4,6-Dichloro-2-methylpyrimidine-5-carbaldehyde
CID 23035630
4,6-Dichloro-2-(methylsulfanyl)pyrimidine-5-carboxamide
CID 70700377
4,6-Dichloro-2-(methylthio)pyrimidine-5-carbonyl chloride
CID 72699144
4,6-Dichloro-2-fluoropyrimidine-5-carbaldehyde
CID 88764492
6-Chloro-5-formyl-2-methylthio-4-thiocyanatopyrimidine
CID 11230333
Ethyl [(4,6-dichloro-5-formylpyrimidin-2-yl)-sulfanyl]acetate
CID 129757485
4-Amino-6-chloro-2-methylsulfanylpyrimidine-5-carbaldehyde
CID 9855786
4,6-Dichloro-2-(dimethylamino)pyrimidine-5-carbaldehyde
CID 13080957
4-Chloro-6-methylsulfanylpyrimidine-5-carbaldehyde
CID 23383689

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde?
The IUPAC name of 4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde (CID 11951695) is 4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde.
What is the SMILES notation for 4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde?
The canonical SMILES for 4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde is CSc1nc(Cl)c(C=O)c(I)n1.
What is the InChIKey of 4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde?
The InChIKey is OSBVAELPEIGPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClIN2OS/c1-12-6-9-4(7)3(2-11)5(8)10-6/h2H,1H3.
What are the key properties of 4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde?
4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde has a molecular weight of 314.54 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-iodo-2-methylsulfanylpyrimidine-5-carbaldehyde is sourced from PubChem (CID 11951695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).