4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine

C7H6ClIN2S — CID 89391435

IUPAC4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESClc1nc(CI)nc2c1SCC2
InChIInChI=1S/C7H6ClIN2S/c8-7-6-4(1-2-12-6)10-5(3-9)11-7/h1-3H2
InChIKeyHVGSDQMCFWYMGI-UHFFFAOYSA-N
MW312.56 g/mol
LogP2.71
Rot. Bonds1

About 4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine

4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine (PubChem CID 89391435) has the molecular formula C7H6ClIN2S and a molecular weight of 312.56 g/mol. Its IUPAC name is 4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine
PubChem CID89391435
Molecular FormulaC7H6ClIN2S
Molecular Weight312.56 g/mol
Exact Mass311.90
IUPAC Name4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine
SMILESClc1nc(CI)nc2c1SCC2
InChIInChI=1S/C7H6ClIN2S/c8-7-6-4(1-2-12-6)10-5(3-9)11-7/h1-3H2
InChIKeyHVGSDQMCFWYMGI-UHFFFAOYSA-N
XLogP2.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.56
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine?
The IUPAC name of 4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine (CID 89391435) is 4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine.
What is the SMILES notation for 4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine?
The canonical SMILES for 4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine is Clc1nc(CI)nc2c1SCC2.
What is the InChIKey of 4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine?
The InChIKey is HVGSDQMCFWYMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClIN2S/c8-7-6-4(1-2-12-6)10-5(3-9)11-7/h1-3H2.
What are the key properties of 4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine?
4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine has a molecular weight of 312.56 g/mol, XLogP of 2.71, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(iodomethyl)-6,7-dihydrothieno[3,2-d]pyrimidine is sourced from PubChem (CID 89391435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).