4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine

C7H8Cl2N2S — CID 174159301

IUPAC4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine
SMILESCCSc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2S/c1-3-12-7-10-5(8)4(2)6(9)11-7/h3H2,1-2H3
InChIKeyIPDKNKQDIXIDSK-UHFFFAOYSA-N
MW223.13 g/mol
LogP3.20
Rot. Bonds2

About 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine

4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine (PubChem CID 174159301) has the molecular formula C7H8Cl2N2S and a molecular weight of 223.13 g/mol. Its IUPAC name is 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine
PubChem CID174159301
Molecular FormulaC7H8Cl2N2S
Molecular Weight223.13 g/mol
Exact Mass221.98
IUPAC Name4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine
SMILESCCSc1nc(Cl)c(C)c(Cl)n1
InChIInChI=1S/C7H8Cl2N2S/c1-3-12-7-10-5(8)4(2)6(9)11-7/h3H2,1-2H3
InChIKeyIPDKNKQDIXIDSK-UHFFFAOYSA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.13
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine?
The IUPAC name of 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine (CID 174159301) is 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine is CCSc1nc(Cl)c(C)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine?
The InChIKey is IPDKNKQDIXIDSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N2S/c1-3-12-7-10-5(8)4(2)6(9)11-7/h3H2,1-2H3.
What are the key properties of 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine?
4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine has a molecular weight of 223.13 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-ethylsulfanyl-5-methylpyrimidine is sourced from PubChem (CID 174159301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).