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

C14H20Cl2N2S — CID 65139974

IUPAC4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(CSC2CCCCC2)nc1Cl
InChIInChI=1S/C14H20Cl2N2S/c1-2-6-11-13(15)17-12(18-14(11)16)9-19-10-7-4-3-5-8-10/h10H,2-9H2,1H3
InChIKeyYZYSCMQJVYQFPF-UHFFFAOYSA-N
MW319.30 g/mol
LogP5.30
Rot. Bonds5

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

4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine (PubChem CID 65139974) has the molecular formula C14H20Cl2N2S and a molecular weight of 319.30 g/mol. Its IUPAC name is 4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine
PubChem CID65139974
Molecular FormulaC14H20Cl2N2S
Molecular Weight319.30 g/mol
Exact Mass318.07
IUPAC Name4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(CSC2CCCCC2)nc1Cl
InChIInChI=1S/C14H20Cl2N2S/c1-2-6-11-13(15)17-12(18-14(11)16)9-19-10-7-4-3-5-8-10/h10H,2-9H2,1H3
InChIKeyYZYSCMQJVYQFPF-UHFFFAOYSA-N
XLogP5.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.30
LogP ≤ 55.30
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-(cyclohexylsulfanylmethyl)-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine (CID 65139974) is 4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine is CCCc1c(Cl)nc(CSC2CCCCC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine?
The InChIKey is YZYSCMQJVYQFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2S/c1-2-6-11-13(15)17-12(18-14(11)16)9-19-10-7-4-3-5-8-10/h10H,2-9H2,1H3.
What are the key properties of 4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine?
4,6-dichloro-2-(cyclohexylsulfanylmethyl)-5-propylpyrimidine has a molecular weight of 319.30 g/mol, XLogP of 5.30, 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-(cyclohexylsulfanylmethyl)-5-propylpyrimidine is sourced from PubChem (CID 65139974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).