4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine

C10H8ClN3S — CID 62482152

IUPAC4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine
SMILESCc1nc(Cl)cc(Sc2ccccn2)n1
InChIInChI=1S/C10H8ClN3S/c1-7-13-8(11)6-10(14-7)15-9-4-2-3-5-12-9/h2-6H,1H3
InChIKeyOJMBZNCBKCMVLV-UHFFFAOYSA-N
MW237.72 g/mol
LogP2.98
Rot. Bonds2

About 4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine

4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine (PubChem CID 62482152) has the molecular formula C10H8ClN3S and a molecular weight of 237.72 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine
PubChem CID62482152
Molecular FormulaC10H8ClN3S
Molecular Weight237.72 g/mol
Exact Mass237.01
IUPAC Name4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine
SMILESCc1nc(Cl)cc(Sc2ccccn2)n1
InChIInChI=1S/C10H8ClN3S/c1-7-13-8(11)6-10(14-7)15-9-4-2-3-5-12-9/h2-6H,1H3
InChIKeyOJMBZNCBKCMVLV-UHFFFAOYSA-N
XLogP2.98
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.72
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine (CID 62482152) is 4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine is Cc1nc(Cl)cc(Sc2ccccn2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine?
The InChIKey is OJMBZNCBKCMVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3S/c1-7-13-8(11)6-10(14-7)15-9-4-2-3-5-12-9/h2-6H,1H3.
What are the key properties of 4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine?
4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine has a molecular weight of 237.72 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-pyridin-2-ylsulfanylpyrimidine is sourced from PubChem (CID 62482152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).