4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine

C10H12ClIN2OS — CID 80622750

IUPAC4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine
SMILESCOCc1nc(C2CCCS2)nc(Cl)c1I
InChIInChI=1S/C10H12ClIN2OS/c1-15-5-6-8(12)9(11)14-10(13-6)7-3-2-4-16-7/h7H,2-5H2,1H3
InChIKeyHEDZOPGFGSNHTC-UHFFFAOYSA-N
MW370.64 g/mol
LogP3.45
Rot. Bonds3

About 4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine

4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine (PubChem CID 80622750) has the molecular formula C10H12ClIN2OS and a molecular weight of 370.64 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine
PubChem CID80622750
Molecular FormulaC10H12ClIN2OS
Molecular Weight370.64 g/mol
Exact Mass369.94
IUPAC Name4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine
SMILESCOCc1nc(C2CCCS2)nc(Cl)c1I
InChIInChI=1S/C10H12ClIN2OS/c1-15-5-6-8(12)9(11)14-10(13-6)7-3-2-4-16-7/h7H,2-5H2,1H3
InChIKeyHEDZOPGFGSNHTC-UHFFFAOYSA-N
XLogP3.45
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.64
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine (CID 80622750) is 4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine is COCc1nc(C2CCCS2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine?
The InChIKey is HEDZOPGFGSNHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClIN2OS/c1-15-5-6-8(12)9(11)14-10(13-6)7-3-2-4-16-7/h7H,2-5H2,1H3.
What are the key properties of 4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine?
4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine has a molecular weight of 370.64 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-(methoxymethyl)-2-(thiolan-2-yl)pyrimidine is sourced from PubChem (CID 80622750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).