4-methyl-5-(4-methylsulfanylphenyl)pyrimidine

C12H12N2S — CID 121012013

IUPAC4-methyl-5-(4-methylsulfanylphenyl)pyrimidine
SMILESCSc1ccc(-c2cncnc2C)cc1
InChIInChI=1S/C12H12N2S/c1-9-12(7-13-8-14-9)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3
InChIKeyJBLVFESNOJRUKF-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.17
Rot. Bonds2

About 4-methyl-5-(4-methylsulfanylphenyl)pyrimidine

4-methyl-5-(4-methylsulfanylphenyl)pyrimidine (PubChem CID 121012013) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-methyl-5-(4-methylsulfanylphenyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-5-(4-methylsulfanylphenyl)pyrimidine
PubChem CID121012013
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name4-methyl-5-(4-methylsulfanylphenyl)pyrimidine
SMILESCSc1ccc(-c2cncnc2C)cc1
InChIInChI=1S/C12H12N2S/c1-9-12(7-13-8-14-9)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3
InChIKeyJBLVFESNOJRUKF-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(4-methylsulfanylphenyl)pyrimidine?
The IUPAC name of 4-methyl-5-(4-methylsulfanylphenyl)pyrimidine (CID 121012013) is 4-methyl-5-(4-methylsulfanylphenyl)pyrimidine.
What is the SMILES notation for 4-methyl-5-(4-methylsulfanylphenyl)pyrimidine?
The canonical SMILES for 4-methyl-5-(4-methylsulfanylphenyl)pyrimidine is CSc1ccc(-c2cncnc2C)cc1.
What is the InChIKey of 4-methyl-5-(4-methylsulfanylphenyl)pyrimidine?
The InChIKey is JBLVFESNOJRUKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9-12(7-13-8-14-9)10-3-5-11(15-2)6-4-10/h3-8H,1-2H3.
What are the key properties of 4-methyl-5-(4-methylsulfanylphenyl)pyrimidine?
4-methyl-5-(4-methylsulfanylphenyl)pyrimidine has a molecular weight of 216.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(4-methylsulfanylphenyl)pyrimidine is sourced from PubChem (CID 121012013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).