4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine

C8H10Cl2N2S — CID 90395892

IUPAC4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine
SMILESCCCSc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C8H10Cl2N2S/c1-3-4-13-8-11-6(9)5(2)7(10)12-8/h3-4H2,1-2H3
InChIKeyMGFYCQLHMGJRKU-UHFFFAOYSA-N
MW237.15 g/mol
LogP3.59
Rot. Bonds3

About 4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine

4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine (PubChem CID 90395892) has the molecular formula C8H10Cl2N2S and a molecular weight of 237.15 g/mol. Its IUPAC name is 4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine
PubChem CID90395892
Molecular FormulaC8H10Cl2N2S
Molecular Weight237.15 g/mol
Exact Mass235.99
IUPAC Name4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine
SMILESCCCSc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C8H10Cl2N2S/c1-3-4-13-8-11-6(9)5(2)7(10)12-8/h3-4H2,1-2H3
InChIKeyMGFYCQLHMGJRKU-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.15
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine?
The IUPAC name of 4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine (CID 90395892) is 4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine is CCCSc1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine?
The InChIKey is MGFYCQLHMGJRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10Cl2N2S/c1-3-4-13-8-11-6(9)5(2)7(10)12-8/h3-4H2,1-2H3.
What are the key properties of 4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine?
4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine has a molecular weight of 237.15 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-methyl-2-propylsulfanylpyrimidine is sourced from PubChem (CID 90395892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).