2-chloro-5-(2-methylsulfanylethyl)pyrimidine

C7H9ClN2S — CID 87311905

IUPAC2-chloro-5-(2-methylsulfanylethyl)pyrimidine
SMILESCSCCc1cnc(Cl)nc1
InChIInChI=1S/C7H9ClN2S/c1-11-3-2-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3
InChIKeyCFONAPHZWHIZCF-UHFFFAOYSA-N
MW188.68 g/mol
LogP2.04
Rot. Bonds3

About 2-chloro-5-(2-methylsulfanylethyl)pyrimidine

2-chloro-5-(2-methylsulfanylethyl)pyrimidine (PubChem CID 87311905) has the molecular formula C7H9ClN2S and a molecular weight of 188.68 g/mol. Its IUPAC name is 2-chloro-5-(2-methylsulfanylethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-5-(2-methylsulfanylethyl)pyrimidine
PubChem CID87311905
Molecular FormulaC7H9ClN2S
Molecular Weight188.68 g/mol
Exact Mass188.02
IUPAC Name2-chloro-5-(2-methylsulfanylethyl)pyrimidine
SMILESCSCCc1cnc(Cl)nc1
InChIInChI=1S/C7H9ClN2S/c1-11-3-2-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3
InChIKeyCFONAPHZWHIZCF-UHFFFAOYSA-N
XLogP2.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylsulfanylethyl)pyrimidine?
The IUPAC name of 2-chloro-5-(2-methylsulfanylethyl)pyrimidine (CID 87311905) is 2-chloro-5-(2-methylsulfanylethyl)pyrimidine.
What is the SMILES notation for 2-chloro-5-(2-methylsulfanylethyl)pyrimidine?
The canonical SMILES for 2-chloro-5-(2-methylsulfanylethyl)pyrimidine is CSCCc1cnc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(2-methylsulfanylethyl)pyrimidine?
The InChIKey is CFONAPHZWHIZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2S/c1-11-3-2-6-4-9-7(8)10-5-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-chloro-5-(2-methylsulfanylethyl)pyrimidine?
2-chloro-5-(2-methylsulfanylethyl)pyrimidine has a molecular weight of 188.68 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylsulfanylethyl)pyrimidine is sourced from PubChem (CID 87311905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).