2-methylsulfanyl-4-phenylpyrimidine

C11H10N2S — CID 817578

IUPAC2-methylsulfanyl-4-phenylpyrimidine
SMILESCSc1nccc(-c2ccccc2)n1
InChIInChI=1S/C11H10N2S/c1-14-11-12-8-7-10(13-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyLHQHZLLOGPDNGV-UHFFFAOYSA-N
MW202.28 g/mol
LogP2.87
Rot. Bonds2

About 2-methylsulfanyl-4-phenylpyrimidine

2-methylsulfanyl-4-phenylpyrimidine (PubChem CID 817578) has the molecular formula C11H10N2S and a molecular weight of 202.28 g/mol. Its IUPAC name is 2-methylsulfanyl-4-phenylpyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-phenylpyrimidine
PubChem CID817578
Molecular FormulaC11H10N2S
Molecular Weight202.28 g/mol
Exact Mass202.06
IUPAC Name2-methylsulfanyl-4-phenylpyrimidine
SMILESCSc1nccc(-c2ccccc2)n1
InChIInChI=1S/C11H10N2S/c1-14-11-12-8-7-10(13-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyLHQHZLLOGPDNGV-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-phenylpyrimidine?
The IUPAC name of 2-methylsulfanyl-4-phenylpyrimidine (CID 817578) is 2-methylsulfanyl-4-phenylpyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-phenylpyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-phenylpyrimidine is CSc1nccc(-c2ccccc2)n1.
What is the InChIKey of 2-methylsulfanyl-4-phenylpyrimidine?
The InChIKey is LHQHZLLOGPDNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2S/c1-14-11-12-8-7-10(13-11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 2-methylsulfanyl-4-phenylpyrimidine?
2-methylsulfanyl-4-phenylpyrimidine has a molecular weight of 202.28 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-phenylpyrimidine is sourced from PubChem (CID 817578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).