2-methylsulfanyl-4-naphthalen-1-ylpyrimidine

C15H12N2S — CID 86018961

IUPAC2-methylsulfanyl-4-naphthalen-1-ylpyrimidine
SMILESCSc1nccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C15H12N2S/c1-18-15-16-10-9-14(17-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3
InChIKeyUNACLDMLSJKNQZ-UHFFFAOYSA-N
MW252.34 g/mol
LogP4.02
Rot. Bonds2

About 2-methylsulfanyl-4-naphthalen-1-ylpyrimidine

2-methylsulfanyl-4-naphthalen-1-ylpyrimidine (PubChem CID 86018961) has the molecular formula C15H12N2S and a molecular weight of 252.34 g/mol. Its IUPAC name is 2-methylsulfanyl-4-naphthalen-1-ylpyrimidine.

Molecular Properties

Compound Name2-methylsulfanyl-4-naphthalen-1-ylpyrimidine
PubChem CID86018961
Molecular FormulaC15H12N2S
Molecular Weight252.34 g/mol
Exact Mass252.07
IUPAC Name2-methylsulfanyl-4-naphthalen-1-ylpyrimidine
SMILESCSc1nccc(-c2cccc3ccccc23)n1
InChIInChI=1S/C15H12N2S/c1-18-15-16-10-9-14(17-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3
InChIKeyUNACLDMLSJKNQZ-UHFFFAOYSA-N
XLogP4.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-4-naphthalen-1-ylpyrimidine?
The IUPAC name of 2-methylsulfanyl-4-naphthalen-1-ylpyrimidine (CID 86018961) is 2-methylsulfanyl-4-naphthalen-1-ylpyrimidine.
What is the SMILES notation for 2-methylsulfanyl-4-naphthalen-1-ylpyrimidine?
The canonical SMILES for 2-methylsulfanyl-4-naphthalen-1-ylpyrimidine is CSc1nccc(-c2cccc3ccccc23)n1.
What is the InChIKey of 2-methylsulfanyl-4-naphthalen-1-ylpyrimidine?
The InChIKey is UNACLDMLSJKNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S/c1-18-15-16-10-9-14(17-15)13-8-4-6-11-5-2-3-7-12(11)13/h2-10H,1H3.
What are the key properties of 2-methylsulfanyl-4-naphthalen-1-ylpyrimidine?
2-methylsulfanyl-4-naphthalen-1-ylpyrimidine has a molecular weight of 252.34 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-4-naphthalen-1-ylpyrimidine is sourced from PubChem (CID 86018961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).