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

C13H18Cl2N2S — CID 65138581

IUPAC4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(CSC2CCCC2)nc1Cl
InChIInChI=1S/C13H18Cl2N2S/c1-2-5-10-12(14)16-11(17-13(10)15)8-18-9-6-3-4-7-9/h9H,2-8H2,1H3
InChIKeyQZIDJKNUJOZSIT-UHFFFAOYSA-N
MW305.27 g/mol
LogP4.91
Rot. Bonds5

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

4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine (PubChem CID 65138581) has the molecular formula C13H18Cl2N2S and a molecular weight of 305.27 g/mol. Its IUPAC name is 4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine
PubChem CID65138581
Molecular FormulaC13H18Cl2N2S
Molecular Weight305.27 g/mol
Exact Mass304.06
IUPAC Name4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine
SMILESCCCc1c(Cl)nc(CSC2CCCC2)nc1Cl
InChIInChI=1S/C13H18Cl2N2S/c1-2-5-10-12(14)16-11(17-13(10)15)8-18-9-6-3-4-7-9/h9H,2-8H2,1H3
InChIKeyQZIDJKNUJOZSIT-UHFFFAOYSA-N
XLogP4.91
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.27
LogP ≤ 54.91
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-(cyclopentylsulfanylmethyl)-5-propylpyrimidine?
The IUPAC name of 4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine (CID 65138581) is 4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine.
What is the SMILES notation for 4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine?
The canonical SMILES for 4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine is CCCc1c(Cl)nc(CSC2CCCC2)nc1Cl.
What is the InChIKey of 4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine?
The InChIKey is QZIDJKNUJOZSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2S/c1-2-5-10-12(14)16-11(17-13(10)15)8-18-9-6-3-4-7-9/h9H,2-8H2,1H3.
What are the key properties of 4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine?
4,6-dichloro-2-(cyclopentylsulfanylmethyl)-5-propylpyrimidine has a molecular weight of 305.27 g/mol, XLogP of 4.91, 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-(cyclopentylsulfanylmethyl)-5-propylpyrimidine is sourced from PubChem (CID 65138581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).