4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine

C11H14Cl2N2OS — CID 87813348

IUPAC4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(COC2CCCC2)c(Cl)n1
InChIInChI=1S/C11H14Cl2N2OS/c1-17-11-14-9(12)8(10(13)15-11)6-16-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyLRGBYWDYIOQUNF-UHFFFAOYSA-N
MW293.22 g/mol
LogP3.96
Rot. Bonds4

About 4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine

4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine (PubChem CID 87813348) has the molecular formula C11H14Cl2N2OS and a molecular weight of 293.22 g/mol. Its IUPAC name is 4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine
PubChem CID87813348
Molecular FormulaC11H14Cl2N2OS
Molecular Weight293.22 g/mol
Exact Mass292.02
IUPAC Name4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)c(COC2CCCC2)c(Cl)n1
InChIInChI=1S/C11H14Cl2N2OS/c1-17-11-14-9(12)8(10(13)15-11)6-16-7-4-2-3-5-7/h7H,2-6H2,1H3
InChIKeyLRGBYWDYIOQUNF-UHFFFAOYSA-N
XLogP3.96
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.22
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine (CID 87813348) is 4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine is CSc1nc(Cl)c(COC2CCCC2)c(Cl)n1.
What is the InChIKey of 4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine?
The InChIKey is LRGBYWDYIOQUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2OS/c1-17-11-14-9(12)8(10(13)15-11)6-16-7-4-2-3-5-7/h7H,2-6H2,1H3.
What are the key properties of 4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine?
4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine has a molecular weight of 293.22 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-(cyclopentyloxymethyl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 87813348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).