4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine

C10H13ClN2S — CID 65139220

IUPAC4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine
SMILESClc1ccnc(CSC2CCCC2)n1
InChIInChI=1S/C10H13ClN2S/c11-9-5-6-12-10(13-9)7-14-8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyFURFLDYCVSJIRK-UHFFFAOYSA-N
MW228.75 g/mol
LogP3.31
Rot. Bonds3

About 4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine

4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine (PubChem CID 65139220) has the molecular formula C10H13ClN2S and a molecular weight of 228.75 g/mol. Its IUPAC name is 4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine
PubChem CID65139220
Molecular FormulaC10H13ClN2S
Molecular Weight228.75 g/mol
Exact Mass228.05
IUPAC Name4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine
SMILESClc1ccnc(CSC2CCCC2)n1
InChIInChI=1S/C10H13ClN2S/c11-9-5-6-12-10(13-9)7-14-8-3-1-2-4-8/h5-6,8H,1-4,7H2
InChIKeyFURFLDYCVSJIRK-UHFFFAOYSA-N
XLogP3.31
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.75
LogP ≤ 53.31
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)pyrimidine?
The IUPAC name of 4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine (CID 65139220) is 4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine.
What is the SMILES notation for 4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine?
The canonical SMILES for 4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine is Clc1ccnc(CSC2CCCC2)n1.
What is the InChIKey of 4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine?
The InChIKey is FURFLDYCVSJIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2S/c11-9-5-6-12-10(13-9)7-14-8-3-1-2-4-8/h5-6,8H,1-4,7H2.
What are the key properties of 4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine?
4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine has a molecular weight of 228.75 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(cyclopentylsulfanylmethyl)pyrimidine is sourced from PubChem (CID 65139220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).