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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Related Compounds

2-Methyl-4-[2-[2-(2-methylphenyl)pyrimidin-5-yl]ethynyl]-1,3-thiazole
CID 16662932
2-Benzyl-4-methylpyrimidine
CID 915660
2-methyl-7-phenyl-5H-pyrimido[5,4-d][2]benzazepine
CID 13225502
2-Phenyl-4-(2-propen-1-ylthio)-pyrimidine
CID 96753
2-phenyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine
CID 137647832
9-fluoro-2-methyl-5H-thiochromeno[4,3-d]pyrimidine
CID 2741245
2,4-Dimethyl-5-[(4-methylbenzyl)thio]pyrimidine
CID 2745263
4-Methyl-5-(phenylthio)pyrimidin-2-amine
CID 2745353
4-Methyl-5-[(4-methylphenyl)sulfanyl]-2-pyrimidinamine
CID 1475322
2-Methyl-4-phenylpyrimidine
CID 598374
2-Methyl-4-phenyl-5-(phenylsulfonyl)pyrimidine
CID 1488217
4,6-Bis(3'-((2''-(dimethylamino)ethyl)thio)phenyl)pyrimidine
CID 148143

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).