4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine

C13H19ClN2S — CID 65139219

IUPAC4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(CSC2CCCC2)n1
InChIInChI=1S/C13H19ClN2S/c1-9(2)11-7-12(14)16-13(15-11)8-17-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyVIEQGORANACTNY-UHFFFAOYSA-N
MW270.83 g/mol
LogP4.43
Rot. Bonds4

About 4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine

4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine (PubChem CID 65139219) has the molecular formula C13H19ClN2S and a molecular weight of 270.83 g/mol. Its IUPAC name is 4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine
PubChem CID65139219
Molecular FormulaC13H19ClN2S
Molecular Weight270.83 g/mol
Exact Mass270.10
IUPAC Name4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(Cl)nc(CSC2CCCC2)n1
InChIInChI=1S/C13H19ClN2S/c1-9(2)11-7-12(14)16-13(15-11)8-17-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3
InChIKeyVIEQGORANACTNY-UHFFFAOYSA-N
XLogP4.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.83
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine (CID 65139219) is 4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine is CC(C)c1cc(Cl)nc(CSC2CCCC2)n1.
What is the InChIKey of 4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine?
The InChIKey is VIEQGORANACTNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2S/c1-9(2)11-7-12(14)16-13(15-11)8-17-10-5-3-4-6-10/h7,9-10H,3-6,8H2,1-2H3.
What are the key properties of 4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine has a molecular weight of 270.83 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopentylsulfanylmethyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 65139219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).