2-methylsulfanyl-4-pyridin-2-ylpyrimidine

C10H9N3S — CID 22174862

IUPAC2-methylsulfanyl-4-pyridin-2-ylpyrimidine
SMILESCSc1nccc(-c2ccccn2)n1
InChIInChI=1S/C10H9N3S/c1-14-10-12-7-5-9(13-10)8-4-2-3-6-11-8/h2-7H,1H3
InChIKeyNXAKCKIAIOTNFA-UHFFFAOYSA-N
MW203.27 g/mol
LogP2.26
Rot. Bonds2

About 2-methylsulfanyl-4-pyridin-2-ylpyrimidine

2-methylsulfanyl-4-pyridin-2-ylpyrimidine (PubChem CID 22174862) has the molecular formula C10H9N3S and a molecular weight of 203.27 g/mol. Its IUPAC name is 2-methylsulfanyl-4-pyridin-2-ylpyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-pyridin-2-ylpyrimidine
PubChem CID22174862
Molecular FormulaC10H9N3S
Molecular Weight203.27 g/mol
Exact Mass203.05
IUPAC Name2-methylsulfanyl-4-pyridin-2-ylpyrimidine
SMILESCSc1nccc(-c2ccccn2)n1
InChIInChI=1S/C10H9N3S/c1-14-10-12-7-5-9(13-10)8-4-2-3-6-11-8/h2-7H,1H3
InChIKeyNXAKCKIAIOTNFA-UHFFFAOYSA-N
XLogP2.26
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.27
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-pyridin-2-ylpyrimidine?
The IUPAC name of 2-methylsulfanyl-4-pyridin-2-ylpyrimidine (CID 22174862) is 2-methylsulfanyl-4-pyridin-2-ylpyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-pyridin-2-ylpyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-pyridin-2-ylpyrimidine is CSc1nccc(-c2ccccn2)n1.
What is the InChIKey of 2-methylsulfanyl-4-pyridin-2-ylpyrimidine?
The InChIKey is NXAKCKIAIOTNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S/c1-14-10-12-7-5-9(13-10)8-4-2-3-6-11-8/h2-7H,1H3.
What are the key properties of 2-methylsulfanyl-4-pyridin-2-ylpyrimidine?
2-methylsulfanyl-4-pyridin-2-ylpyrimidine has a molecular weight of 203.27 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-pyridin-2-ylpyrimidine is sourced from PubChem (CID 22174862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).