2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine

C14H16N2S — CID 2745352

IUPAC2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine
SMILESCc1ncc(SCc2ccccc2C)c(C)n1
InChIInChI=1S/C14H16N2S/c1-10-6-4-5-7-13(10)9-17-14-8-15-12(3)16-11(14)2/h4-8H,9H2,1-3H3
InChIKeyNSAFGLSCXUCODH-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.69
Rot. Bonds3

About 2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine

2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine (PubChem CID 2745352) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine
PubChem CID2745352
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine
SMILESCc1ncc(SCc2ccccc2C)c(C)n1
InChIInChI=1S/C14H16N2S/c1-10-6-4-5-7-13(10)9-17-14-8-15-12(3)16-11(14)2/h4-8H,9H2,1-3H3
InChIKeyNSAFGLSCXUCODH-UHFFFAOYSA-N
XLogP3.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine?
The IUPAC name of 2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine (CID 2745352) is 2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine?
The canonical SMILES for 2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine is Cc1ncc(SCc2ccccc2C)c(C)n1.
What is the InChIKey of 2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine?
The InChIKey is NSAFGLSCXUCODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-6-4-5-7-13(10)9-17-14-8-15-12(3)16-11(14)2/h4-8H,9H2,1-3H3.
What are the key properties of 2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine?
2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine has a molecular weight of 244.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-[(2-methylphenyl)methylsulfanyl]pyrimidine is sourced from PubChem (CID 2745352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).