4,6-dichloro-2-propylsulfanylpyrimidine

C7H8Cl2N2S — CID 78358301

IUPAC4,6-dichloro-2-propylsulfanylpyrimidine
SMILESCCCSc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H8Cl2N2S/c1-2-3-12-7-10-5(8)4-6(9)11-7/h4H,2-3H2,1H3
InChIKeyGJSKUPWUDKTHHN-UHFFFAOYSA-N
MW223.13 g/mol
LogP3.29
Rot. Bonds3

About 4,6-dichloro-2-propylsulfanylpyrimidine

4,6-dichloro-2-propylsulfanylpyrimidine (PubChem CID 78358301) has the molecular formula C7H8Cl2N2S and a molecular weight of 223.13 g/mol. Its IUPAC name is 4,6-dichloro-2-propylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-propylsulfanylpyrimidine
PubChem CID78358301
Molecular FormulaC7H8Cl2N2S
Molecular Weight223.13 g/mol
Exact Mass221.98
IUPAC Name4,6-dichloro-2-propylsulfanylpyrimidine
SMILESCCCSc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H8Cl2N2S/c1-2-3-12-7-10-5(8)4-6(9)11-7/h4H,2-3H2,1H3
InChIKeyGJSKUPWUDKTHHN-UHFFFAOYSA-N
XLogP3.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.13
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4,6-dichloro-2-propylsulfanylpyrimidine 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 4,6-dichloro-2-propylsulfanylpyrimidine?
The IUPAC name of 4,6-dichloro-2-propylsulfanylpyrimidine (CID 78358301) is 4,6-dichloro-2-propylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-propylsulfanylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-propylsulfanylpyrimidine is CCCSc1nc(Cl)cc(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-propylsulfanylpyrimidine?
The InChIKey is GJSKUPWUDKTHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2S/c1-2-3-12-7-10-5(8)4-6(9)11-7/h4H,2-3H2,1H3.
What are the key properties of 4,6-dichloro-2-propylsulfanylpyrimidine?
4,6-dichloro-2-propylsulfanylpyrimidine has a molecular weight of 223.13 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-propylsulfanylpyrimidine is sourced from PubChem (CID 78358301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).