2-chloro-5-methyl-4-methylsulfanylpyrimidine

C6H7ClN2S — CID 21267740

IUPAC2-chloro-5-methyl-4-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)ncc1C
InChIInChI=1S/C6H7ClN2S/c1-4-3-8-6(7)9-5(4)10-2/h3H,1-2H3
InChIKeyDYYRBQZEBNOILZ-UHFFFAOYSA-N
MW174.66 g/mol
LogP2.16
Rot. Bonds1

About 2-chloro-5-methyl-4-methylsulfanylpyrimidine

2-chloro-5-methyl-4-methylsulfanylpyrimidine (PubChem CID 21267740) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-methylsulfanylpyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-methylsulfanylpyrimidine
PubChem CID21267740
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name2-chloro-5-methyl-4-methylsulfanylpyrimidine
SMILESCSc1nc(Cl)ncc1C
InChIInChI=1S/C6H7ClN2S/c1-4-3-8-6(7)9-5(4)10-2/h3H,1-2H3
InChIKeyDYYRBQZEBNOILZ-UHFFFAOYSA-N
XLogP2.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-methylsulfanylpyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-methylsulfanylpyrimidine (CID 21267740) is 2-chloro-5-methyl-4-methylsulfanylpyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-methylsulfanylpyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-methylsulfanylpyrimidine is CSc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-5-methyl-4-methylsulfanylpyrimidine?
The InChIKey is DYYRBQZEBNOILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S/c1-4-3-8-6(7)9-5(4)10-2/h3H,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-methylsulfanylpyrimidine?
2-chloro-5-methyl-4-methylsulfanylpyrimidine has a molecular weight of 174.66 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-methylsulfanylpyrimidine is sourced from PubChem (CID 21267740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).