4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine

C15H16Cl2N2S — CID 106847790

IUPAC4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2ccc(SCC)cc2)nc1Cl
InChIInChI=1S/C15H16Cl2N2S/c1-3-5-12-13(16)18-15(19-14(12)17)10-6-8-11(9-7-10)20-4-2/h6-9H,3-5H2,1-2H3
InChIKeyAAHFOAPVYXOPDQ-UHFFFAOYSA-N
MW327.28 g/mol
LogP5.51
Rot. Bonds5

About 4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine

4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine (PubChem CID 106847790) has the molecular formula C15H16Cl2N2S and a molecular weight of 327.28 g/mol. Its IUPAC name is 4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine
PubChem CID106847790
Molecular FormulaC15H16Cl2N2S
Molecular Weight327.28 g/mol
Exact Mass326.04
IUPAC Name4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(-c2ccc(SCC)cc2)nc1Cl
InChIInChI=1S/C15H16Cl2N2S/c1-3-5-12-13(16)18-15(19-14(12)17)10-6-8-11(9-7-10)20-4-2/h6-9H,3-5H2,1-2H3
InChIKeyAAHFOAPVYXOPDQ-UHFFFAOYSA-N
XLogP5.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.28
LogP ≤ 55.51
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-(4-ethylsulfanylphenyl)-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine (CID 106847790) is 4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine is CCCc1c(Cl)nc(-c2ccc(SCC)cc2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine?
The InChIKey is AAHFOAPVYXOPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2S/c1-3-5-12-13(16)18-15(19-14(12)17)10-6-8-11(9-7-10)20-4-2/h6-9H,3-5H2,1-2H3.
What are the key properties of 4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine?
4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine has a molecular weight of 327.28 g/mol, XLogP of 5.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-2-(4-ethylsulfanylphenyl)-5-propylpyrimidine is sourced from PubChem (CID 106847790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).